CYP1A1

Summary

CYP1A1 (cytochrome P450 family 1 subfamily A member 1, HGNC:2595) is a protein-coding gene on chromosome 15q24.1, encoding Cytochrome P450 1A1 (P04798). A cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates, including fatty acids, steroid hormones and vitamins.

This gene, CYP1A1, encodes a member of the cytochrome P450 superfamily of enzymes. The cytochrome P450 proteins are monooxygenases which catalyze many reactions involved in drug metabolism and synthesis of cholesterol, steroids and other lipids. This protein localizes to the endoplasmic reticulum and its expression is induced by some polycyclic aromatic hydrocarbons (PAHs), some of which are found in cigarette smoke. The enzyme’s endogenous substrate is unknown; however, it is able to metabolize some PAHs to carcinogenic intermediates. The gene has been associated with lung cancer risk. A related family member, CYP1A2, is located approximately 25 kb away from CYP1A1 on chromosome 15. Alternative splicing results in multiple transcript variants encoding distinct isoforms.

Source: NCBI Gene 1543 — RefSeq curated summary.

At a glance

• GWAS associations: 61
• Clinical variants (ClinVar): 81 total
• Druggable target: yes — 18 molecules with ChEMBL bioactivity
• MANE Select transcript: NM_001319217

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:2595
Approved symbol	CYP1A1
Name	cytochrome P450 family 1 subfamily A member 1
Location	15q24.1
Locus type	gene with protein product
Status	Approved
Aliases	P450DX, P1-450, P450-C, CP11
Ensembl gene	ENSG00000140465
Ensembl biotype	protein_coding
OMIM	108330
Entrez	1543

Gene structure

Transcript identifiers

Ensembl transcripts: 15 — 13 protein_coding, 2 nonsense_mediated_decay

ENST00000379727, ENST00000395048, ENST00000395049, ENST00000562201, ENST00000564596, ENST00000566503, ENST00000567032, ENST00000569630, ENST00000617691, ENST00000853120, ENST00000853121, ENST00000853122, ENST00000853123, ENST00000853124, ENST00000956239

RefSeq mRNA: 3 — MANE Select: NM_001319217 NM_000499, NM_001319216, NM_001319217

CCDS: CCDS10268, CCDS81906

Canonical transcript exons

ENST00000379727 — 7 exons

Exon	Start	End
ENSE00001307644	74722273	74723126
ENSE00001482298	74719542	74720774
ENSE00001520430	74725441	74725528
ENSE00003523602	74721591	74721717
ENSE00003564671	74721414	74721503
ENSE00003567551	74721199	74721322
ENSE00003638397	74720967	74721053

Expression profiles

Bgee: expression breadth ubiquitous, 175 present calls, max score 92.14.

FANTOM5 (CAGE): breadth broad, TPM avg 4.3743 / max 559.0239, expressed in 477 samples.

FANTOM5 promoters (1 alternative TSS)

Promoter ID	TPM avg	Samples expressed
150926	4.3743	477

Top tissues by expression

285 total, by Bgee expression score (0-100, higher = more expressed):

Tissue	Anatomy ID	Expression score	Quality
male germ line stem cell (sensu Vertebrata) in testis	CL:0000089 ∩ UBERON:0000473	92.14	silver quality
jejunal mucosa	UBERON:0000399	90.14	gold quality
islet of Langerhans	UBERON:0000006	87.37	gold quality
trachea	UBERON:0003126	85.81	gold quality
right lobe of liver	UBERON:0001114	82.32	gold quality
colonic epithelium	UBERON:0000397	81.43	gold quality
liver	UBERON:0002107	80.17	gold quality
adult organism	UBERON:0007023	78.47	gold quality
urinary bladder	UBERON:0001255	75.84	gold quality
cartilage tissue	UBERON:0002418	75.76	silver quality
jejunum	UBERON:0002115	72.47	gold quality
endometrium epithelium	UBERON:0004811	72.36	gold quality
metanephros cortex	UBERON:0010533	71.85	gold quality
skin of leg	UBERON:0001511	71.50	gold quality
mucosa of urinary bladder	UBERON:0001259	71.27	gold quality
mucosa of transverse colon	UBERON:0004991	70.58	gold quality
pharyngeal mucosa	UBERON:0000355	69.67	gold quality
subcutaneous adipose tissue	UBERON:0002190	68.41	gold quality
nipple	UBERON:0002030	68.20	gold quality
palpebral conjunctiva	UBERON:0001812	68.13	silver quality
saphenous vein	UBERON:0007318	67.02	gold quality
zone of skin	UBERON:0000014	66.96	gold quality
mucosa of stomach	UBERON:0001199	66.30	gold quality
skin of abdomen	UBERON:0001416	66.14	gold quality
duodenum	UBERON:0002114	65.95	gold quality
tibial artery	UBERON:0007610	65.32	gold quality
popliteal artery	UBERON:0002250	65.22	gold quality
right coronary artery	UBERON:0001625	64.28	gold quality
coronary artery	UBERON:0001621	64.06	gold quality
left coronary artery	UBERON:0001626	63.83	gold quality

Single-cell (SCXA)

Detected in 2 experiment(s), a significant marker in 2.

Experiment	Marker?	Max mean expression
E-MTAB-10283	yes	658.28
E-ANND-3	no	0.00

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): AHR, AHRR, AP1, ARNT2, ARNT, BRCA1, CEBPB, DNMT1, ESR1, ESR2, FOXO1, HOXD13, KLF13, KLF16, KLF4, KLF9, NCOA3, NCOR2, NFIA, NFIC, NFKB1, NFKB, NR0B2, NR1H3, NR1I3, NR2F1, NR3C1, PGR, POU2F1, PPARA, PPARD, PPARG, RARA, RELA, REST, RXRA, SP1, TCF3, TP53, TXK

miRNA regulators (miRDB)

35 targeting CYP1A1, top 30 by miRDB confidence (max_score; target_count = how many genes the miRNA targets in total — lower means more specific):

miRNA	Max score	Avg score	miRNA target_count
HSA-MIR-4789-3P	99.99	70.75	2484
HSA-LET-7C-3P	99.95	73.42	2862
HSA-MIR-3934-3P	99.76	65.51	1351
HSA-MIR-4446-5P	99.72	69.19	2544
HSA-MIR-4677-5P	99.70	70.09	1940
HSA-MIR-466	99.67	70.85	2863
HSA-MIR-3177-5P	99.65	70.38	1174
HSA-MIR-6832-5P	99.58	64.82	1132
HSA-MIR-6733-3P	99.54	67.80	1281
HSA-MIR-4643	99.49	67.63	1791
HSA-MIR-2116-5P	99.32	69.34	1273
HSA-MIR-593-3P	99.22	67.28	1327
HSA-MIR-10399-5P	99.17	69.87	2610
HSA-MIR-6504-3P	99.17	69.31	2891
HSA-MIR-3168	99.08	67.75	1384
HSA-MIR-3154	98.94	66.55	1455
HSA-MIR-7851-3P	98.72	64.88	980
HSA-MIR-6796-3P	98.68	65.49	689
HSA-MIR-6840-3P	98.68	65.95	1923
HSA-MIR-2467-3P	98.65	67.18	1969
HSA-MIR-6818-3P	98.56	68.23	1307
HSA-MIR-518C-5P	98.53	69.20	1640
HSA-MIR-6511B-5P	97.98	65.64	823
HSA-MIR-6811-5P	97.98	64.96	848
HSA-MIR-6883-3P	97.97	67.35	643
HSA-MIR-6742-3P	97.95	64.50	1490
HSA-MIR-6847-5P	97.93	66.74	1808
HSA-MIR-6747-3P	97.73	64.84	1596
HSA-MIR-379-5P	97.52	67.81	485
HSA-MIR-4786-5P	97.45	67.89	924

Literature-anchored findings (GeneRIF, showing 40)

• CYP1A1 activity might be related to the metabolism of 1-hydroxypyrene and 2-naphthol. (PMID:11641039)
• aryl hydrocarbon receptor polymorphisms result in lack of CYP1A1 induction (PMID:11689007)
• Likewise, DNA damage (SB and DNA adducts) was elevated in V79 h1A1-MZ cells expressing human CYP1A1 when treated with BaP (0.1-0.5 microM) and this was inhibited by chrysin and apigenin, but not by quercetin. (PMID:11752233)
• Lack of association between CYP1A1 polymorphism and Parkinson’s disease in a Chinese population. (PMID:11793160)
• we investigated the relationship between the levels of aromatic DNA adducts in breast tissues and polymorphisms of the drug-metabolizing genes CYP1A1, NAT2, and GSTM1 in 166 women having breast cancer (PMID:11872636)
• role in epoxidation of benzo[a]pyrene-7,8-dihydrodiol (PMID:11952781)
• airborne particulates generated during the frying of beef, fish and pork can induce carcinogen-metabolizing CYP1A1 in the human lung-derived cell line (PMID:11955671)
• The presence of the rare C allele of the CYP1A1 gene in smokers may enhance predisposition to severe coronary artery disease and type 2 diabetes. (PMID:11996959)
• polymorphisms in cyp1a1 is associated with risk of gall bladder cancer (PMID:12071517)
• characterization of human CYP1A1/1A2 induction by DNA microarray and alpha-naphthoflavone (PMID:12147246)
• an exon 7 polymorphism, not a MspI polymorphism, in CYP1A1 may be pivotal in the development of oesophageal cancer in Taiwan. (PMID:12189551)
• Relationship between CYP1A1 polymorphism and susceptibility to colon cancer (PMID:12210502)
• Differentiation-dependent induction of CYP1A1 in cultured rat small intestinal epithelial cells, colonocytes, and human colon carcinoma cells: basement membrane-mediated apoptosis (PMID:12210751)
• Data show that 3-methylcholanthrene and fetal bovine serum cotreatment potentiated CYP1A1 expression, and this potentiation was at least in part associated with an increase in CYP1A1 mRNA and gene transcription levels. (PMID:12237110)
• individuals with exon 7 containing G allele were at increased risk for oral squamous cell carcinoma and oral precancerous lesion (PMID:12269988)
• analysis of metabolic pathways involving CYP1A1 and dioxins, and comparison to the rat homolog (PMID:12464257)
• An individual’s susceptibility to the effects of PBCs may be partially determined by polymorphism in the gene encoding the biotransformation enzyme cytochrome P450 1A1. (PMID:12496044)
• Effect of genotype on steady-state CYP1A1 gene expression in human peripheral lymphocytes. (PMID:12527337)
• CYP1A1 T3801 C polymorphism and lung cancer: a pooled analysis of 2451 cases and 3358 controls. (PMID:12594823)
• The rarer variant alleles protect from psoriasis (PMID:12713578)
• Down-regulation of cytochrome P450 CYP1A1 is associated with breast cancer (PMID:12738724)
• Polymorphism of CYP1A1 encoding phase 1 xenobiotic detoxication enzyme was studied. (PMID:12760253)
• There are no associations between the genotypes and the risk of developing acute leukemia. (PMID:12827651)
• Single nucleotide Polymorphisms in the CYP1A1 gene are associated with prostate cancer risk (PMID:12845676)
• CYP1A1 3’ polymorphism may be one of the promising protective factors and its wild gene type may be an indicator for higher susceptibility to esophageal cancer. (PMID:12854128)
• The genotype frequency of CYP1A1 4887C/A was significantly lower in patients with ankylosing spondylitis than in controls. (PMID:12880680)
• Data show that the mutation allele of CYP1A1 gene appears to increase the risk of endometriosis (PMID:12903034)
• no influence of the genetic polymorphism of cytochrome P450 1A1 on the urinary levels of 1-hydroxypyrene was observed in this study (PMID:12919721)
• Chilean people carrying single or combined GSTM1 and CYP1A1 polymorphisms are more susceptible to prostate cancer. (PMID:12949934)
• specific genotype combinations of CYP1A1, GSTM1 and GSTT1 alleles in the development of lung cancer in heavy smokers (PMID:14534704)
• Results describe the recruitment of aryl hydrocarbon receptor and associated proteins to the human cytochrome P4501A1 gene promoter in vivo. (PMID:14560034)
• To investigate the role of cytochrome P450 1A1 (CYP1A1) in the pathogenesis of systemic lupus erythematosus (SLE). (PMID:14611903)
• CYP1A1 4887A may be a risk factor for the development of reactive arthritis, especially in the presence of Mn SOD 1183T/T (PMID:14687717)
• CYP1A1 gene polymorphism support modest association with the risk of head and neck neoplasms. (PMID:14693745)
• The association of tobacco smoking with CYP1A1 methylation in the lung suggests that promoter methylation is involved in the regulation of CYP1A1 induction in vivo. (PMID:14695173)
• Single Nucleotide Polymorphisms of CYP1A1 is associated with breast cancer (PMID:14734460)
• no differences between the patient and control groups regarding genetic polymorphism of genes for non-small cell lung carcinoma (PMID:14758730)
• An analysis was made of CYP1A1 exon 7 polymorphisms by PCR-SSCP in a Brazilian population. (PMID:15013696)
• CYP1A1 is regulated in a developmental and tissue-specific fashion (PMID:15037607)
• CYP1A1 Val/Val and GSTM1 deletion genotypes are genetic susceptibility biomarkers for esophageal cancer. (PMID:15052670)

Cross-species orthologs

3 orthologs

Organism	Symbol	Gene ID
danio_rerio	cyp1a	ENSDARG00000098315
mus_musculus	Cyp1a1	ENSMUSG00000032315
rattus_norvegicus	Cyp1a1	ENSRNOG00000019500

Paralogs (2): CYP1B1 (ENSG00000138061), CYP1A2 (ENSG00000140505)

Protein

Protein identifiers

Cytochrome P450 1A1 — P04798 (reviewed: P04798)

Alternative names: Cytochrome P450 form 6, Cytochrome P450-C, Cytochrome P450-P1, Hydroperoxy icosatetraenoate dehydratase

All UniProt accessions (4): P04798, A0N0X8, A4F3V8, E7EMT5

UniProt curated annotations — full annotation on UniProt →

Function. A cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates, including fatty acids, steroid hormones and vitamins. Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (NADPH–hemoprotein reductase). Catalyzes the hydroxylation of carbon-hydrogen bonds. Exhibits high catalytic activity for the formation of hydroxyestrogens from estrone (E1) and 17beta-estradiol (E2), namely 2-hydroxy E1 and E2, as well as D-ring hydroxylated E1 and E2 at the C15-alpha and C16-alpha positions. Displays different regioselectivities for polyunsaturated fatty acids (PUFA) hydroxylation. Catalyzes the epoxidation of double bonds of certain PUFA. Converts arachidonic acid toward epoxyeicosatrienoic acid (EET) regioisomers, 8,9-, 11,12-, and 14,15-EET, that function as lipid mediators in the vascular system. Displays an absolute stereoselectivity in the epoxidation of eicosapentaenoic acid (EPA) producing the 17(R),18(S) enantiomer. May play an important role in all-trans retinoic acid biosynthesis in extrahepatic tissues. Catalyzes two successive oxidative transformation of all-trans retinol to all-trans retinal and then to the active form all-trans retinoic acid. May also participate in eicosanoids metabolism by converting hydroperoxide species into oxo metabolites (lipoxygenase-like reaction, NADPH-independent).

Subunit / interactions. Interacts with cytosolic chaperones HSP70 and HSP90; this interaction is required for initial targeting to mitochondria. Interacts (via mitochondrial targeting signal) with TOMM40 (via N-terminus); this interaction is required for translocation across the mitochondrial outer membrane.

Subcellular location. Endoplasmic reticulum membrane. Mitochondrion inner membrane. Microsome membrane. Cytoplasm.

Tissue specificity. Lung, lymphocytes and placenta.

Induction. By 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD).

Pathway. Steroid hormone biosynthesis. Lipid metabolism; fatty acid metabolism. Cofactor metabolism; retinol metabolism.

Similarity. Belongs to the cytochrome P450 family.

Isoforms (3)

UniProt ID	Names	Canonical?
P04798-1	1	yes
P04798-2	2
P04798-3	3

RefSeq proteins (3): NP_000490, NP_001306145, NP_001306146* (*=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR001128	Cyt_P450	Family
IPR002401	Cyt_P450_E_grp-I	Family
IPR008066	Cyt_P450_E_grp-I_CYP1	Family
IPR017972	Cyt_P450_CS	Conserved_site
IPR036396	Cyt_P450_sf	Homologous_superfamily

Pfam: PF00067

Catalyzed reactions (Rhea), 12 shown:

• an organic molecule + reduced [NADPH–hemoprotein reductase] + O2 = an alcohol + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:17149)
• (12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate = 12-oxo-(5Z,8Z,10E,14Z)-eicosatetraenoate + H2O (RHEA:37947)
• (5Z,8Z,11Z,14Z)-eicosatetraenoate + reduced [NADPH–hemoprotein reductase] + O2 = 19-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:39759)
• (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + reduced [NADPH–hemoprotein reductase] + O2 = (17R,18S)-epoxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:39779)
• (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + reduced [NADPH–hemoprotein reductase] + O2 = 19-hydroxy-(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:39787)
• (5Z,8Z,11Z,14Z)-eicosatetraenoate + reduced [NADPH–hemoprotein reductase] + O2 = 18-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:39811)
• all-trans-retinal + reduced [NADPH–hemoprotein reductase] + O2 = all-trans-retinoate + oxidized [NADPH–hemoprotein reductase] + H2O + 2 H(+) (RHEA:42088)
• all-trans-retinol + reduced [NADPH–hemoprotein reductase] + O2 = all-trans-retinal + oxidized [NADPH–hemoprotein reductase] + 2 H2O + H(+) (RHEA:42092)
• estrone + reduced [NADPH–hemoprotein reductase] + O2 = 16alpha-hydroxyestrone + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:47204)
• estrone + reduced [NADPH–hemoprotein reductase] + O2 = 2-hydroxyestrone + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:47208)
• 17beta-estradiol + reduced [NADPH–hemoprotein reductase] + O2 = 2-hydroxy-17beta-estradiol + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:47212)
• 17beta-estradiol + reduced [NADPH–hemoprotein reductase] + O2 = 15alpha-hydroxy-17beta-estradiol + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:47276)

UniProt features (73 total): helix 25, sequence variant 17, strand 14, turn 5, splice variant 4, sequence conflict 3, binding site 2, chain 1, region of interest 1, glycosylation site 1

Structure

Experimental structures (PDB)

6 structures.

PDB	Method	Resolution (Å)
4I8V	X-RAY DIFFRACTION	2.6
6DWM	X-RAY DIFFRACTION	2.85
6UDL	X-RAY DIFFRACTION	2.85
6DWN	X-RAY DIFFRACTION	3
6UDM	X-RAY DIFFRACTION	3.08
6O5Y	X-RAY DIFFRACTION	3.17

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-P04798-F1	95.55	0.91

Functional residue map

Curated UniProt residues grouped by drug-discovery relevance — catalytic, ligand-binding, modification, and mutation-validated positions. Source: UniProtKB sequence features.

Ligand- & substrate-binding residues (2): 224; 457 (axial binding residue)

Glycosylation sites (1): 67

Function

Pathways and Gene Ontology

Reactome pathways

5 pathways

ID	Pathway
R-HSA-1989781	PPARA activates gene expression
R-HSA-211981	Xenobiotics
R-HSA-2142670	Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET)
R-HSA-2142816	Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE)
R-HSA-9018681	Biosynthesis of protectins

MSigDB gene sets: 353 (showing top): GOBP_LIPID_MODIFICATION, GOBP_PHENOL_CONTAINING_COMPOUND_METABOLIC_PROCESS, MODULE_93, TONKS_TARGETS_OF_RUNX1_RUNX1T1_FUSION_MONOCYTE_UP, WILLIAMS_ESR1_TARGETS_DN, GOBP_HEPATICOBILIARY_SYSTEM_DEVELOPMENT, GOBP_EPITHELIUM_DEVELOPMENT, REACTOME_BIOLOGICAL_OXIDATIONS, MCLACHLAN_DENTAL_CARIES_UP, MODULE_255, GOMF_OXIDOREDUCTASE_ACTIVITY_ACTING_ON_PAIRED_DONORS_WITH_INCORPORATION_OR_REDUCTION_OF_MOLECULAR_OXYGEN, GOBP_RESPONSE_TO_IMMOBILIZATION_STRESS, GOZGIT_ESR1_TARGETS_DN, GRAESSMANN_APOPTOSIS_BY_SERUM_DEPRIVATION_UP, GOBP_CELL_CYCLE_PHASE_TRANSITION

GO Biological Process (55): response to hypoxia (GO:0001666), long-chain fatty acid metabolic process (GO:0001676), lipid hydroxylation (GO:0002933), fatty acid metabolic process (GO:0006631), steroid biosynthetic process (GO:0006694), steroid catabolic process (GO:0006706), porphyrin-containing compound metabolic process (GO:0006778), xenobiotic metabolic process (GO:0006805), steroid metabolic process (GO:0008202), estrogen metabolic process (GO:0008210), amine metabolic process (GO:0009308), toxin metabolic process (GO:0009404), response to nematode (GO:0009624), response to herbicide (GO:0009635), ethylene metabolic process (GO:0009692), coumarin metabolic process (GO:0009804), flavonoid metabolic process (GO:0009812), response to iron(III) ion (GO:0010041), insecticide metabolic process (GO:0017143), phenol-containing compound metabolic process (GO:0018958), dibenzo-p-dioxin catabolic process (GO:0019341), epoxygenase P450 pathway (GO:0019373), response to food (GO:0032094), response to lipopolysaccharide (GO:0032496), response to vitamin A (GO:0033189), response to genistein (GO:0033595), response to immobilization stress (GO:0035902), xenobiotic catabolic process (GO:0042178), vitamin D metabolic process (GO:0042359), retinol metabolic process (GO:0042572), long-chain fatty acid biosynthetic process (GO:0042759), 9-cis-retinoic acid biosynthetic process (GO:0042904), camera-type eye development (GO:0043010), nitric oxide metabolic process (GO:0046209), response to arsenic-containing substance (GO:0046685), digestive tract development (GO:0048565), tissue remodeling (GO:0048771), hydrogen peroxide biosynthetic process (GO:0050665), response to hyperoxia (GO:0055093), maternal process involved in parturition (GO:0060137)

GO Molecular Function (24): monooxygenase activity (GO:0004497), iron ion binding (GO:0005506), arachidonate monooxygenase activity (GO:0008391), steroid hydroxylase activity (GO:0008395), oxidoreductase activity (GO:0016491), oxidoreductase activity, acting on diphenols and related substances as donors (GO:0016679), flavonoid 3’-monooxygenase activity (GO:0016711), oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen (GO:0016712), oxygen binding (GO:0019825), enzyme binding (GO:0019899), heme binding (GO:0020037), Hsp70 protein binding (GO:0030544), demethylase activity (GO:0032451), Hsp90 protein binding (GO:0051879), vitamin D 24-hydroxylase activity (GO:0070576), estrogen 16-alpha-hydroxylase activity (GO:0101020), estrogen 2-hydroxylase activity (GO:0101021), long-chain fatty acid omega-hydroxylase activity (GO:0102033), hydroperoxy icosatetraenoate dehydratase activity (GO:0106256), long-chain fatty acid omega-1 hydroxylase activity (GO:0120319), protein binding (GO:0005515), oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen (GO:0016705), lyase activity (GO:0016829), metal ion binding (GO:0046872)

GO Cellular Component (6): mitochondrion (GO:0005739), mitochondrial inner membrane (GO:0005743), endoplasmic reticulum membrane (GO:0005789), cytoplasm (GO:0005737), endoplasmic reticulum (GO:0005783), membrane (GO:0016020)

Reactome top-level categories

Rollup of top-4 pathways:

Category	Pathways
Arachidonate metabolism	2
Regulation of lipid metabolism by PPARalpha	1
Cytochrome P450 - arranged by substrate type	1
Biosynthesis of DHA-derived SPMs	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
metabolic process	4
steroid metabolic process	3
monooxygenase activity	3
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	3
steroid hydroxylase activity	3
response to stress	2
lipid metabolic process	2
oxidoreductase activity	2
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen	2
catalytic activity	2
heat shock protein binding	2
cytoplasm	2
intracellular membrane-bounded organelle	2
cellular anatomical structure	2
response to decreased oxygen levels	1
fatty acid metabolic process	1
lipid modification	1
monocarboxylic acid metabolic process	1
lipid biosynthetic process	1
lipid catabolic process	1
tetrapyrrole metabolic process	1
cellular response to xenobiotic stimulus	1
hormone metabolic process	1
secondary metabolic process	1
response to other organism	1
response to toxic substance	1
olefin metabolic process	1
phenylpropanoid metabolic process	1
response to iron ion	1
xenobiotic metabolic process	1
toxin metabolic process	1
response to insecticide	1
transition metal ion binding	1
small molecule binding	1
protein binding	1
tetrapyrrole binding	1
protein-folding chaperone binding	1
fatty acid omega-hydroxylase activity	1
hydro-lyase activity	1
fatty acid omega-1 hydroxylase activity	1

Protein interactions and networks

STRING

3020 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
CYP1A1	AHR	P35869	957
CYP1A1	PPIG	Q13427	934
CYP1A1	GSTM1	P09488	919
CYP1A1	AHRR	A9YTQ3	892
CYP1A1	ARNT	P27540	853
CYP1A1	COMT	P21964	853
CYP1A1	D6RE68	D6RE68	853
CYP1A1	EPHX1	P07099	853
CYP1A1	UGT1A6	P19224	845
CYP1A1	UGT1A1	P22309	840
CYP1A1	UGT1A4	P22310	839
CYP1A1	UGT1A10	Q9HAW8	838
CYP1A1	UGT1A7	Q9HAW7	838
CYP1A1	UGT1A8	Q9HAW9	838
CYP1A1	CYP3A4	P05184	810

IntAct

10 interactions, top by confidence:

A	B	Type	Score
CYP1A1	CMTM5	psi-mi:“MI:0915”(physical association)	0.560
CMTM5	CYP1A1	psi-mi:“MI:0915”(physical association)	0.560
CYP1A1	SNX3	psi-mi:“MI:0914”(association)	0.530
MYCBP2	CYP1A1	psi-mi:“MI:0915”(physical association)	0.400

BioGRID (146): CMTM5 (Two-hybrid), MUT (Affinity Capture-MS), TLN1 (Affinity Capture-MS), GTF2I (Affinity Capture-MS), MCM2 (Affinity Capture-MS), GSTK1 (Affinity Capture-MS), NAA15 (Affinity Capture-MS), TPP2 (Affinity Capture-MS), HDLBP (Affinity Capture-MS), PSME1 (Affinity Capture-MS), SF3A1 (Affinity Capture-MS), DIS3 (Affinity Capture-MS), VRK1 (Affinity Capture-MS), ACADVL (Affinity Capture-MS), NUP35 (Affinity Capture-MS)

ESM2 similar proteins: A0A068Q7V0, A0A2H5AIX7, F1B282, F1B283, H2DH22, K4CI52, O24312, O42231, O42430, O42457, O81077, O81928, P04798, P33616, P37114, P37115, P48522, P56591, P92994, P93596, P93846, Q04468, Q05JG2, Q07217, Q09J79, Q42797, Q43033, Q43054, Q43067, Q43240, Q5KQT7, Q5W6F1, Q6GUR1, Q6JZS3, Q6TBX7, Q92095, Q92100, Q92109, Q92110, Q92116

Diamond homologs: A0A0U5GRB4, A0A1L9WQP6, A0A6J4BC30, A0A7T8F1L2, A8WGA0, B5BSX1, B5UAQ8, B8QHP1, F1SY70, F1SY74, F1SY75, F1SYI9, G1XU03, H2DH24, I3PLR1, K2RQZ2, L7X3S1, O17624, O18963, O35293, O49396, O49858, O49859, O62671, O65790, O73853, O81972, P00181, P00182, P04798, P05179, P05181, P05182, P08683, P0DXH4, P10632, P11711, P12394, P15149, P16141

SIGNOR signaling

4 interactions.

A	Effect	B	Mechanism
ARNT	“up-regulates quantity by expression”	CYP1A1	“transcriptional regulation”
AHR	“up-regulates quantity by expression”	CYP1A1	“transcriptional regulation”

Disease & clinical

Clinical variants and AI predictions

ClinVar

81 variants total. Per-class counts are floors (≥ shown; pagination cap):

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	0
Uncertain significance	56
Likely benign	14
Benign	9

Top pathogenic / likely-pathogenic (0)

SpliceAI

910 predictions. Top by Δscore:

Variant	Effect	Δscore
15:74720775:C:CA	acceptor_loss	1.0000
15:74720775:C:CC	acceptor_gain	1.0000
15:74720776:T:A	acceptor_loss	1.0000
15:74720965:A:AC	donor_gain	1.0000
15:74720966:C:CC	donor_gain	1.0000
15:74721054:C:CC	acceptor_gain	1.0000
15:74721193:CCTTA:C	donor_loss	1.0000
15:74721194:CTTA:C	donor_loss	1.0000
15:74721196:TAC:T	donor_loss	1.0000
15:74721197:ACCTG:A	donor_loss	1.0000
15:74721198:C:A	donor_loss	1.0000
15:74721318:TGTGT:T	acceptor_gain	1.0000
15:74721319:GTGT:G	acceptor_gain	1.0000
15:74721320:TGT:T	acceptor_gain	1.0000
15:74721321:GT:G	acceptor_gain	1.0000
15:74721323:C:CC	acceptor_gain	1.0000
15:74721410:CTAC:C	donor_loss	1.0000
15:74721411:TACCT:T	donor_loss	1.0000
15:74721412:A:AC	donor_gain	1.0000
15:74721413:C:CC	donor_gain	1.0000
15:74721413:C:CG	donor_loss	1.0000
15:74721413:CCTAG:C	donor_gain	1.0000
15:74721416:AGCT:A	donor_gain	1.0000
15:74721417:G:C	donor_gain	1.0000
15:74721502:CC:C	acceptor_gain	1.0000
15:74721502:CCCTG:C	acceptor_loss	1.0000
15:74721503:CC:C	acceptor_gain	1.0000
15:74721503:CCTGG:C	acceptor_loss	1.0000
15:74721504:C:CA	acceptor_loss	1.0000
15:74721504:C:CC	acceptor_gain	1.0000

AlphaMissense

0 scored. Top likely-pathogenic:

dbSNP variants (sampled 300 via entrez): RS1000393848 (15:74719252 T>G), RS1000699728 (15:74724009 T>C), RS1000751890 (15:74723694 T>G), RS1001267801 (15:74724894 G>T), RS1001321488 (15:74725220 T>C), RS1002751412 (15:74726717 G>C), RS1003108973 (15:74726931 C>A,T), RS1003610970 (15:74723291 G>C), RS1003663279 (15:74723593 T>C), RS1003694142 (15:74726203 C>T), RS1003746638 (15:74725974 G>A), RS1003766629 (15:74719774 C>T), RS1003771803 (15:74719405 C>G), RS1004188384 (15:74726811 A>T), RS1005020092 (15:74726160 G>T)

Disease associations

OMIM: gene MIM:108330 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

0 total (0 of 0 shown, HPO-id order):

GWAS associations

61 associations (top):

Study	Trait	p-value
GCST000394_3	Diastolic blood pressure	1.000000e-23
GCST000992_1	Coffee consumption	5.000000e-14
GCST001032_7	Caffeine consumption	5.000000e-14
GCST001215_1	Coffee consumption	2.000000e-11
GCST001227_6	Systolic blood pressure	6.000000e-23
GCST001228_18	Diastolic blood pressure	3.000000e-26
GCST002650_6	Coffee consumption (cups per day)	2.000000e-24
GCST002651_2	Coffee consumption	5.000000e-19
GCST003273_19	Diastolic blood pressure	5.000000e-06
GCST003846_10	Caffeine metabolism (plasma 1,3,7-trimethylxanthine (caffeine) level)	5.000000e-18
GCST003846_11	Caffeine metabolism (plasma 1,3,7-trimethylxanthine (caffeine) level)	1.000000e-20
GCST003846_7	Caffeine metabolism (plasma 1,3,7-trimethylxanthine (caffeine) level)	1.000000e-11
GCST003846_8	Caffeine metabolism (plasma 1,3,7-trimethylxanthine (caffeine) level)	2.000000e-16
GCST003846_9	Caffeine metabolism (plasma 1,3,7-trimethylxanthine (caffeine) level)	3.000000e-09
GCST003848_1	Caffeine metabolism (plasma 1,3-dimethylxanthine (theophylline) level)	1.000000e-07
GCST003848_2	Caffeine metabolism (plasma 1,3-dimethylxanthine (theophylline) level)	1.000000e-08
GCST003848_3	Caffeine metabolism (plasma 1,3-dimethylxanthine (theophylline) level)	2.000000e-07
GCST003848_4	Caffeine metabolism (plasma 1,3-dimethylxanthine (theophylline) level)	1.000000e-07
GCST003851_4	Caffeine metabolism (plasma 1,7-dimethylxanthine (paraxanthine) to 1,3,7-trimethylxanthine (caffeine) ratio)	3.000000e-07
GCST003851_5	Caffeine metabolism (plasma 1,7-dimethylxanthine (paraxanthine) to 1,3,7-trimethylxanthine (caffeine) ratio)	3.000000e-14
GCST003851_6	Caffeine metabolism (plasma 1,7-dimethylxanthine (paraxanthine) to 1,3,7-trimethylxanthine (caffeine) ratio)	3.000000e-11
GCST003851_7	Caffeine metabolism (plasma 1,7-dimethylxanthine (paraxanthine) to 1,3,7-trimethylxanthine (caffeine) ratio)	4.000000e-15
GCST003851_8	Caffeine metabolism (plasma 1,7-dimethylxanthine (paraxanthine) to 1,3,7-trimethylxanthine (caffeine) ratio)	9.000000e-22
GCST004616_64	Platelet distribution width	4.000000e-10
GCST004776_66	Systolic blood pressure	2.000000e-12
GCST004777_53	Diastolic blood pressure	6.000000e-16
GCST006187_40	Diastolic blood pressure (cigarette smoking interaction)	8.000000e-33
GCST006187_41	Diastolic blood pressure (cigarette smoking interaction)	5.000000e-30
GCST006188_44	Systolic blood pressure (cigarette smoking interaction)	1.000000e-28
GCST006188_45	Systolic blood pressure (cigarette smoking interaction)	4.000000e-23

EFO canonical traits (19, from GWAS)

EFO ID	Trait name
EFO:0006336	diastolic blood pressure
EFO:0004330	coffee consumption
EFO:0006335	systolic blood pressure
EFO:0006782	cups of coffee per day measurement
EFO:0007872	caffeine metabolite measurement
EFO:0007984	platelet component distribution width
EFO:0006527	smoking status measurement
EFO:0004285	albuminuria
EFO:0600038	plasma clozapine measurement
EFO:0007778	urinary albumin to creatinine ratio
EFO:0010089	bitter beverage consumption measurement
EFO:0010093	bitter non-alcoholic beverage consumption measurement
EFO:0006781	coffee consumption measurement
EFO:0010090	sweet beverage consumption measurement
EFO:0010091	tea consumption measurement
EFO:0009282	sodium measurement
EFO:0009283	potassium measurement
EFO:0004531	urate measurement
EFO:0010811	carbohydrate intake measurement

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (4): CHEMBL2231 (SINGLE PROTEIN), CHEMBL3544905 (PROTEIN FAMILY), CHEMBL4523986 (PROTEIN FAMILY), CHEMBL6066125 (PROTEIN-PROTEIN INTERACTION)

Molecules with ChEMBL bioactivity

18 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 532,438 (via chembl_molecule»patent_compound — counts attach to the compound, not the gene–compound relationship, so off-target/promiscuous molecules can dominate).

Molecule	Name	Phase	Patents
CHEMBL112	ACETAMINOPHEN	4	157,242
CHEMBL190461	CANNABIDIOL	4	26,379
CHEMBL45	MELATONIN	4	56,417
CHEMBL477772	PAZOPANIB	4	15,540
CHEMBL165	RESVERATROL	3	60,144
CHEMBL24171	BERGAPTEN	3	3,967
CHEMBL50	QUERCETIN	3	74,559
CHEMBL74415	CANNABINOL	3	18,794
CHEMBL151	LUTEOLIN	2	23,523
CHEMBL2387742	CANNABIDIVARIN	2	4,963
CHEMBL299613	2-METHOXYESTRADIOL	2	13,643
CHEMBL399910	PINOCEMBRIN	2	163
CHEMBL44746	KHELLIN	2	30,610
CHEMBL8260	BAICALEIN	2	8,592
CHEMBL83527	PTEROSTILBENE	2	4,538
CHEMBL405845	FURAFYLLINE	2	1,130
CHEMBL150	KAEMPFEROL	1	25,940
CHEMBL295316	PLUMBAGIN	1	6,294

PharmGKB: 1 entry (VIP=true, CPIC=false)

PharmGKB clinical annotations

6 annotations.

Variant	Type	Level	Drugs	Phenotypes
CYP1A11, CYP1A12A	Metabolism/PK	3	granisetron
rs1048943	Efficacy	3	capecitabine;docetaxel	Breast Neoplasms
rs2472297	Metabolism/PK	3	olanzapine	Psychotic Disorder
rs2606345	Metabolism/PK	3	deferasirox	Beta-thalassemia and related diseases
rs2606345	Efficacy	3	carbamazepine;phenobarbital;phenytoin;valproic acid	Epilepsy
rs3826041	Dosage	3	warfarin	Heart valve replacement

PharmGKB variants

8 variants.

Variant	Genes	Level	Score	#Clin annots	Drugs
rs1048943	CYP1A1	3	2.25	1	capecitabine;docetaxel
rs1799814	CYP1A1		0.00	0
rs2470893	CYP1A1		0.00	0
rs2472297	CYP1A1	3	2.25	1	olanzapine
rs2606345	CYP1A1	3	5.00	2	deferasirox;carbamazepine;phenobarbital;phenytoin;valproic acid
rs4646421	CYP1A1		0.00	0
rs4646903	CYP1A1		0.00	1
rs3826041	CYP1A1	3	2.25	1	warfarin

GtoPdb / IUPHAR curated pharmacology

(IUPHAR/BPS Guide to Pharmacology — expert-curated)

Target class: enzyme — CYP1 family

Most potent curated ligand interactions (8 total), top 8:

Ligand	Action	Affinity	Parameter
chrysin	Inhibition	7.38	pKi
5H3’FPE	Inhibition	7.37	pIC50
acacetin	Inhibition	7.35	pKi
diosmetin	Inhibition	7.05	pKi
65PF	Inhibition	6.82	pIC50
eupatorin	Inhibition	6.68	pKi
myricetin	Inhibition	6.43	pKi
apigenin	Inhibition	6.41	pKi

Binding affinities (BindingDB)

1 measured of 6 human assays (6 total across all organisms); most potent 1 below. Values come from heterogeneous assays and are not directly comparable.

Ligand	Measure	Value	Patent
7-hydroxyphenoxazin-3-one	KD	225 nM	US-9216974: Phenoxazine derivatives and methods of use thereof

ChEMBL bioactivities

682 potent at pChembl≥5 of 734 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
9.00	IC50	1	nM	CHEMBL4467401
8.80	IC50	1.6	nM	CHEMBL4759437
8.80	IC50	1.6	nM	CHEMBL4798651
8.79	IC50	1.63	nM	CHEMBL5566974
8.75	IC50	1.77	nM	CHEMBL3132932
8.74	IC50	1.8	nM	CHEMBL3422338
8.64	IC50	2.3	nM	CHEMBL4799247
8.52	IC50	3	nM	CHEMBL4457289
8.52	IC50	3	nM	TRISMETHOXYRESVERATROL
8.51	IC50	3.1	nM	CHEMBL4781932
8.48	IC50	3.3	nM	CHEMBL3220150
8.46	IC50	3.51	nM	CHEMBL3220144
8.37	IC50	4.3	nM	CHEMBL425868
8.36	IC50	4.4	nM	CHEMBL4746097
8.32	IC50	4.8	nM	CHEMBL3422257
8.31	IC50	4.93	nM	CHEMBL3220149
8.28	IC50	5.2	nM	CHEMBL368236
8.27	IC50	5.4	nM	CHEMBL4755282
8.26	IC50	5.46	nM	CHEMBL3220148
8.24	IC50	5.7	nM	CHEMBL4759410
8.24	IC50	5.74	nM	CHEMBL5557701
8.23	IC50	5.9	nM	CHEMBL3422258
8.22	IC50	6	nM	CHEMBL46909
8.19	IC50	6.4	nM	CHEMBL3422337
8.17	IC50	6.7	nM	CHEMBL359819
8.16	IC50	6.9	nM	CHEMBL4791264
8.13	IC50	7.41	nM	ALPHA-NAPHTHOFLAVONE
8.12	IC50	7.6	nM	CHEMBL4781895
8.10	IC50	8	nM	CHEMBL4750829
8.05	IC50	8.81	nM	CHEMBL3220145
8.05	IC50	9	nM	CHEMBL4471231
8.02	IC50	9.5	nM	CHEMBL4474660
8.02	IC50	9.6	nM	CHEMBL4474545
8.02	IC50	9.6	nM	CHEMBL4558857
8.01	IC50	9.8	nM	CHEMBL3422335
8.00	IC50	10	nM	ALPHA-NAPHTHOFLAVONE
8.00	IC50	10.1	nM	CHEMBL4747913
8.00	IC50	9.9	nM	CHEMBL4798694
7.98	IC50	10.5	nM	CHEMBL4539787
7.97	IC50	10.68	nM	CHEMBL5279681
7.97	IC50	10.8	nM	CHEMBL6191423
7.94	IC50	11.5	nM	CHEMBL3422341
7.94	IC50	11.5	nM	CHEMBL3421639
7.94	IC50	11.5	nM	CHEMBL6190503
7.93	IC50	11.8	nM	CHEMBL3422350
7.93	IC50	11.8	nM	CHEMBL4062213
7.92	IC50	12.1	nM	CHEMBL3422346
7.92	IC50	11.9	nM	ALPHA-NAPHTHOFLAVONE
7.92	Ki	12	nM	ISOPIMPINELLIN
7.92	IC50	12	nM	CHEMBL3421639

PubChem BioAssay actives

581 with measured affinity, of 1716 total; 50 most potent distinct compounds. Largely complementary to BindingDB; screening values are coarse (µM, 4 dp), so sub-nM hits tie at the floor.

Compound	Assay	Type	Value	Unit
2-(4-fluorophenyl)-6,7,8-trimethoxybenzo[h]chromen-4-one	1533711: Inhibition of human CYP1A1 by EROD assay	ic50	0.0010	uM
2-(1H-indazol-5-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0016	uM
2-(5-chloro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0016	uM
N-ethyl-2-(4-iodophenyl)quinazolin-4-amine	2082560: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate preincubated with enzyme for 5 mins followed by fluorescent substrate and NADPH addition and measured after 15 mins by EROD assay	ic50	0.0016	uM
2-(4-chlorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0018	uM
2-(6-fluoro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0023	uM
2-(3,4,5-trimethoxyphenyl)benzo[h]chromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0030	uM
1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene	1931321: Inhibtion of CYP1A (unknown origin)	ic50	0.0030	uM
6,7,10-trimethoxy-2-(1,3-thiazol-4-yl)benzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0031	uM
2-(4-chlorophenyl)benzo[h]chromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0043	uM
6,7,10-trimethoxy-2-thiophen-2-ylbenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0044	uM
6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0048	uM
2-(3-chlorophenyl)benzo[h]chromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0052	uM
6,7,10-trimethoxy-2-pyridin-2-ylbenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0054	uM
2-(6-chloro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0057	uM
2-(4-iodophenyl)quinazolin-4-amine	2082560: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate preincubated with enzyme for 5 mins followed by fluorescent substrate and NADPH addition and measured after 15 mins by EROD assay	ic50	0.0057	uM
2-(2-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0059	uM
2-(3-chlorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0064	uM
2-(4-fluorophenyl)benzo[h]chromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0067	uM
6,7,10-trimethoxy-2-(5-methyl-3-pyridinyl)benzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0069	uM
2-phenylbenzo[h]chromen-4-one	2132961: Inhibition of human recombinant CYP1A1 assessed as fluorescence of resorufin	ic50	0.0074	uM
6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0076	uM
2-(5-bromo-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0080	uM
2-(4-chlorophenyl)benzo[h]thiochromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0090	uM
2-(4-azidophenyl)benzo[h]chromen-4-one	1515295: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADPH by EROD assay	ic50	0.0095	uM
2-(4-chlorophenyl)benzo[h]chromene-4-thione	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0096	uM
2-[3-(dimethylamino)phenyl]benzo[h]chromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0096	uM
2-(4-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0098	uM
2-(4-chloro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0099	uM
2-(1-benzofuran-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0101	uM
2-(4-fluorophenyl)-6,10-dimethoxy-1H-benzo[h]quinolin-4-one	1533719: Inhibition of human CYP1A1 using 7-Ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0105	uM
N-(4-imidazol-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine	1936829: Inhibition of recombinant human CYP1A1 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assay	ic50	0.0107	uM
2-(3-fluorophenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0115	uM
2-(3,4-dimethoxyphenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0115	uM
2-(4-fluorophenyl)-3-hydroxy-6,7,10-trimethoxybenzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0118	uM
2-(3,4-difluorophenyl)benzo[h]chromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0118	uM
4,9-dimethoxyfuro[3,2-g]chromen-7-one	1411739: Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	ki	0.0120	uM
2-(2-hydroxyphenyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0121	uM
2-(2-fluorophenyl)benzo[h]chromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0122	uM
2-(4-fluorophenyl)benzo[h]chromene-4-thione	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0123	uM
2-(4-iodophenyl)quinazolin-4-amine;hydrochloride	2082560: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate preincubated with enzyme for 5 mins followed by fluorescent substrate and NADPH addition and measured after 15 mins by EROD assay	ic50	0.0123	uM
6,7,10-trimethoxy-2-(4-methoxyphenyl)benzo[h]chromen-4-one	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0129	uM
2-[2-(3-fluorophenyl)-6,7,10-trimethoxy-4-oxobenzo[h]chromen-3-yl]oxyethyl 2-aminoacetate;hydrochloride	1203557: Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay	ic50	0.0136	uM
2-(3-chlorophenyl)benzo[h]thiochromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0136	uM
2-(4-propa-1,2-dienylcyclohexyl)benzo[h]chromen-4-one	1515295: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADPH by EROD assay	ic50	0.0136	uM
2-(furan-2-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0138	uM
2-(2-amino-4-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0153	uM
S-[4-(4-oxobenzo[h]chromen-2-yl)cyclohexyl] ethanethioate	1515295: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADPH by EROD assay	ic50	0.0159	uM
2-(1H-indol-3-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one	1727621: Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay	ic50	0.0165	uM
2-(3-fluorophenyl)benzo[h]chromen-4-one	1581701: Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry	ic50	0.0167	uM

CTD chemical–gene interactions

994 total (human), top 30 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
Tetrachlorodibenzodioxin	affects response to substance, decreases response to substance, increases activity, increases metabolic processing, affects expression (+12 more)	364
Benzo(a)pyrene	affects methylation, affects metabolic processing, increases expression, increases activity, increases reaction (+19 more)	189
Particulate Matter	increases expression, affects response to substance, increases cleavage, decreases reaction, increases abundance (+4 more)	61
Methylcholanthrene	decreases reaction, increases expression, increases activity, increases reaction, affects cotreatment (+4 more)	53
Estradiol	increases glucuronidation, decreases activity, increases activity, increases oxidation, increases expression (+11 more)	45
Resveratrol	increases degradation, increases expression, increases reaction, affects cotreatment, decreases expression (+6 more)	40
beta-Naphthoflavone	decreases expression, increases activity, increases reaction, decreases activity, decreases reaction (+2 more)	37
alpha-naphthoflavone	increases expression, affects binding, decreases activity, decreases reaction, affects cotreatment (+3 more)	36
2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide	decreases metabolic processing, increases expression, increases activity, affects cotreatment, decreases expression (+4 more)	35
3,4,5,3’,4’-pentachlorobiphenyl	affects cotreatment, increases activity, increases reaction, affects binding, decreases activity (+2 more)	31
Vehicle Emissions	increases abundance, affects cotreatment, affects expression, decreases expression, decreases reaction (+2 more)	27
benz(a)anthracene	increases reaction, affects reaction, increases metabolic processing, affects cotreatment, decreases reaction (+2 more)	26
Omeprazole	decreases expression, increases reaction, affects binding, increases activity, affects response to substance (+2 more)	23
6-formylindolo(3,2-b)carbazole	decreases reaction, increases activity, decreases activity, decreases metabolic processing, increases reaction (+6 more)	21
Quercetin	affects metabolic processing, increases reaction, affects cotreatment, affects binding, decreases activity (+5 more)	20
Tobacco Smoke Pollution	decreases reaction, increases expression, increases reaction, affects cotreatment, affects response to substance (+2 more)	18
3’-methoxy-4’-nitroflavone	decreases reaction, increases expression, increases activity, decreases expression	17
9,10-Dimethyl-1,2-benzanthracene	increases expression, affects cotreatment, increases metabolic processing, increases chemical synthesis, decreases reaction (+4 more)	17
sodium arsenite	increases expression, increases reaction, affects cotreatment, increases abundance, decreases reaction (+4 more)	16
Air Pollutants	increases expression, affects cotreatment, increases oxidation, affects response to substance, decreases reaction (+1 more)	16
bisphenol A	increases response to substance, decreases reaction, increases expression, affects expression, affects cotreatment (+2 more)	15
benzo(k)fluoranthene	affects binding, decreases reaction, increases reaction, affects cotreatment, increases activity (+4 more)	13
Plant Extracts	increases reaction, decreases reaction, increases expression, affects cotreatment, decreases expression (+2 more)	13
benzo(b)fluoranthene	increases reaction, decreases expression, increases activity, affects cotreatment, decreases reaction (+2 more)	12
1,2,5,6-dibenzanthracene	increases activity, decreases reaction, affects expression, increases metabolic processing, affects reaction (+3 more)	12
2-(1’H-indole-3’-carbonyl)thiazole-4-carboxylic acid methyl ester	decreases reaction, increases expression, increases reaction, increases activity, affects reaction	12
Cycloheximide	decreases reaction, increases expression, increases reaction, affects cotreatment, decreases expression (+2 more)	12
Polycyclic Aromatic Hydrocarbons	decreases expression, increases expression, affects expression, affects reaction, affects metabolic processing (+4 more)	12
Aflatoxin B1	decreases methylation, increases abundance, increases response to substance, decreases reaction, affects expression (+7 more)	12
Acetylcysteine	increases reaction, affects reaction, increases activity, decreases reaction, increases expression (+1 more)	11

ChEMBL screening assays

472 unique, capped per target: 423 admet, 49 binding

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL1026477	ADMET	Activity of human CYP1A1 by fluorogenic assay	A highly sensitive fluorogenic probe for cytochrome P450 activity in live cells. — Bioorg Med Chem Lett
CHEMBL3076264	Binding	Inhibition of recombinant CYP1A1 (unknown origin) using 7-ethoxyresorufin as substrate by EROD assay	Chem-bioinformatics and in vitro approaches for candidate optimization: a case study of NSC745689 as a promising antitumor agent — Med Chem Res

Cellosaurus cell lines

13 cell lines: 6 transformed cell line, 4 cancer cell line, 3 spontaneously immortalized cell line

First 10 cell lines (id-ordered, not curated):

Cellosaurus	Name	Category	Sex
CVCL_4V37	V79MZh1A1	Spontaneously immortalized cell line	Male
CVCL_B5VV	Hepc/1A1.4	Cancer cell line	Male
CVCL_C0V1	HepG2 AhR-CYP1A1 clone 4	Cancer cell line	Male
CVCL_C0V2	HepG2 AhR-CYP1A1 clone 9	Cancer cell line	Male
CVCL_C0V3	HepG2 AhR-CYP1A1 clone 10	Cancer cell line	Male
CVCL_E7AI	AHH-1 TK+/- h1A1	Transformed cell line	Male
CVCL_E7AJ	AHH-1 TK+/- h1A1v2	Transformed cell line	Male
CVCL_F0F8	V79MZh1A1/hGSTP1-23	Spontaneously immortalized cell line	Male
CVCL_F0F9	V79MZh1A1/hGSTP1-25	Spontaneously immortalized cell line	Male
CVCL_IQ12	THLE-5B-1A1	Transformed cell line	Sex unspecified

Clinical trials (associated diseases)

0 trials via MONDO — disease-level, not drug-specific.