CYP4A22

Summary

CYP4A22 (cytochrome P450 family 4 subfamily A member 22, HGNC:20575) is a protein-coding gene on chromosome 1p33, encoding Cytochrome P450 4A22 (Q5TCH4). Catalyzes the omega- and (omega-1)-hydroxylation of various fatty acids such as laurate and palmitate.

This gene 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 gene is part of a cluster of cytochrome P450 genes on chromosome 1p33. Alternative splicing results in multiple transcript variants encoding different isoforms.

Source: NCBI Gene 284541 — RefSeq curated summary.

At a glance

• GWAS associations: 2
• Clinical variants (ClinVar): 83 total
• Druggable target: yes — 1 molecules with ChEMBL bioactivity
• MANE Select transcript: NM_001010969

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:20575
Approved symbol	CYP4A22
Name	cytochrome P450 family 4 subfamily A member 22
Location	1p33
Locus type	gene with protein product
Status	Approved
Ensembl gene	ENSG00000162365
Ensembl biotype	protein_coding
OMIM	615341
Entrez	284541

Gene structure

Transcript identifiers

Ensembl transcripts: 16 — 14 protein_coding, 2 protein_coding_CDS_not_defined

ENST00000294337, ENST00000371890, ENST00000371891, ENST00000485117, ENST00000490948, ENST00000619754, ENST00000856556, ENST00000856557, ENST00000856558, ENST00000856559, ENST00000856560, ENST00000856561, ENST00000856562, ENST00000856563, ENST00000856564, ENST00000856565

RefSeq mRNA: 2 — MANE Select: NM_001010969 NM_001010969, NM_001308102

CCDS: CCDS30707, CCDS76160

Canonical transcript exons

ENST00000371891 — 12 exons

Exon	Start	End
ENSE00001456394	47148602	47149727
ENSE00001816967	47137441	47137680
ENSE00003465534	47145866	47145930
ENSE00003480171	47144837	47144970
ENSE00003489967	47142108	47142235
ENSE00003548065	47146077	47146153
ENSE00003570622	47144357	47144463
ENSE00003643829	47140780	47140921
ENSE00003660199	47143762	47143916
ENSE00003660888	47144550	47144740
ENSE00003668002	47143269	47143393
ENSE00003692587	47141571	47141615

Expression profiles

Bgee: expression breadth broad, 77 present calls, max score 96.06.

FANTOM5 (CAGE): breadth tissue_specific, TPM avg 0.0858 / max 32.4123, expressed in 10 samples.

FANTOM5 promoters (1 alternative TSS)

Promoter ID	TPM avg	Samples expressed
2768	0.0858	10

Top tissues by expression

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

Tissue	Anatomy ID	Expression score	Quality
right lobe of liver	UBERON:0001114	96.06	gold quality
liver	UBERON:0002107	95.77	gold quality
quadriceps femoris	UBERON:0001377	82.01	gold quality
adult mammalian kidney	UBERON:0000082	81.74	gold quality
cerebellar vermis	UBERON:0004720	81.04	gold quality
male germ line stem cell (sensu Vertebrata) in testis	CL:0000089 ∩ UBERON:0000473	75.69	silver quality
kidney	UBERON:0002113	73.14	gold quality
thymus	UBERON:0002370	60.01	silver quality
metanephros cortex	UBERON:0010533	58.21	gold quality
cortex of kidney	UBERON:0001225	57.72	gold quality
colonic epithelium	UBERON:0000397	54.29	gold quality
subcutaneous adipose tissue	UBERON:0002190	54.11	gold quality
right lung	UBERON:0002167	52.99	gold quality
tibial nerve	UBERON:0001323	52.27	gold quality
mucosa of stomach	UBERON:0001199	52.07	gold quality
calcaneal tendon	UBERON:0003701	51.90	gold quality
sural nerve	UBERON:0015488	51.71	gold quality
adipose tissue	UBERON:0001013	50.96	gold quality
olfactory segment of nasal mucosa	UBERON:0005386	49.21	gold quality
thoracic mammary gland	UBERON:0005200	48.47	gold quality
superior frontal gyrus	UBERON:0002661	48.01	gold quality
omental fat pad	UBERON:0010414	47.47	gold quality
gastrocnemius	UBERON:0001388	46.79	gold quality
muscle of leg	UBERON:0001383	46.59	gold quality
upper lobe of left lung	UBERON:0008952	46.25	gold quality
tibial artery	UBERON:0007610	44.84	gold quality
popliteal artery	UBERON:0002250	44.77	gold quality
lung	UBERON:0002048	44.27	gold quality
heart left ventricle	UBERON:0002084	44.22	gold quality
descending thoracic aorta	UBERON:0002345	44.21	gold quality

Single-cell (SCXA)

Detected in 1 experiment(s), a significant marker in 1.

Experiment	Marker?	Max mean expression
E-ANND-3	yes	3.88

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): PPARA

Literature-anchored findings (GeneRIF, showing 4)

• A homology model has been constructed for CYP4A22 and refined by molecular dynamics simulation. (PMID:20079672)
• Data suggest that results could be helpful for further investigations of the potential role of CYP4A variants in the genetic susceptibility to cardiovascular diseases such as arterial hypertension. (PMID:21820496)
• Study demonstrate that the CYP4A22 gene codes for an active enzyme. It catalyzes the hydroxylation of both lauric and myristic acids. The structural model of CYP4A22 and substrate docking experiments suggest that its broadened spectrum of catalyzed reactions results from increased residual mobility of active site residue Phe320 and that arginines Arg96 and Arg233 are essential for substrate recognition. (PMID:31199497)
• Novel polymorphisms in CYP4A22 associated with susceptibility to coronary heart disease. (PMID:38438909)

Cross-species orthologs

36 orthologs

Organism	Symbol	Gene ID
danio_rerio	cyp4t8	ENSDARG00000004964
danio_rerio	cyp4f3	ENSDARG00000053530
mus_musculus	Cyp4a31	ENSMUSG00000028712
mus_musculus	Cyp4a32	ENSMUSG00000063929
mus_musculus	Cyp4a10	ENSMUSG00000066072
mus_musculus	Cyp4a30b	ENSMUSG00000084346
rattus_norvegicus	Cyp4a1	ENSRNOG00000009597
rattus_norvegicus	Cyp4a3	ENSRNOG00000066878
drosophila_melanogaster	Cyp4d1	FBGN0005670
drosophila_melanogaster	Cyp4d2	FBGN0011576
drosophila_melanogaster	Cyp4e2	FBGN0014469
drosophila_melanogaster	Cyp4c3	FBGN0015032
drosophila_melanogaster	Cyp4d8	FBGN0015033
drosophila_melanogaster	Cyp4e1	FBGN0015034
drosophila_melanogaster	Cyp4e3	FBGN0015035
drosophila_melanogaster	Cyp4ae1	FBGN0015036
drosophila_melanogaster	Cyp4p1	FBGN0015037
drosophila_melanogaster	Cyp4d14	FBGN0023541
drosophila_melanogaster	Cyp4s3	FBGN0030615
drosophila_melanogaster	Cyp4ac1	FBGN0031693
drosophila_melanogaster	Cyp4ac2	FBGN0031694
drosophila_melanogaster	Cyp4ac3	FBGN0031695
drosophila_melanogaster	Cyp4d21	FBGN0031925
drosophila_melanogaster	Cyp4ad1	FBGN0033292
drosophila_melanogaster	Cyp4p2	FBGN0033395
drosophila_melanogaster	Cyp4p3	FBGN0033397
drosophila_melanogaster	Cyp4aa1	FBGN0034053
drosophila_melanogaster	Cyp4d20	FBGN0035344
drosophila_melanogaster	Cyp312a1	FBGN0036778
caenorhabditis_elegans		WBGENE00007140
caenorhabditis_elegans		WBGENE00009226
caenorhabditis_elegans		WBGENE00010354
caenorhabditis_elegans		WBGENE00013381
caenorhabditis_elegans		WBGENE00016147
caenorhabditis_elegans		WBGENE00021200
caenorhabditis_elegans		WBGENE00021412

Paralogs (12): CYP19A1 (ENSG00000137869), CYP4B1 (ENSG00000142973), CYP4V2 (ENSG00000145476), CYP4F11 (ENSG00000171903), CYP4F22 (ENSG00000171954), CYP4F2 (ENSG00000186115), CYP4Z1 (ENSG00000186160), CYP4F12 (ENSG00000186204), CYP4X1 (ENSG00000186377), CYP4F8 (ENSG00000186526), CYP4F3 (ENSG00000186529), CYP4A11 (ENSG00000187048)

Protein

Protein identifiers

Cytochrome P450 4A22 — Q5TCH4 (reviewed: Q5TCH4)

Alternative names: CYPIVA22, Fatty acid omega-hydroxylase, Lauric acid omega-hydroxylase, Long-chain fatty acid omega-monooxygenase

All UniProt accessions (4): A0A087WZX9, Q5TCH4, A0A0C4DFN9, Q5TCH5

UniProt curated annotations — full annotation on UniProt →

Function. Catalyzes the omega- and (omega-1)-hydroxylation of various fatty acids such as laurate and palmitate. Shows no activity towards arachidonic acid and prostaglandin A1. Lacks functional activity in the kidney and does not contribute to renal 20-hydroxyeicosatetraenoic acid (20-HETE) biosynthesis.

Subcellular location. Endoplasmic reticulum membrane. Microsome membrane.

Similarity. Belongs to the cytochrome P450 family.

Isoforms (2)

UniProt ID	Names	Canonical?
Q5TCH4-1	1	yes
Q5TCH4-2	2

RefSeq proteins (2): NP_001010969, NP_001295031 (=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR001128	Cyt_P450	Family
IPR002401	Cyt_P450_E_grp-I	Family
IPR017972	Cyt_P450_CS	Conserved_site
IPR036396	Cyt_P450_sf	Homologous_superfamily
IPR050196	Cytochrome_P450_Monoox	Family

Pfam: PF00067

Catalyzed reactions (Rhea), 1 shown:

• an omega-methyl-long-chain fatty acid + reduced [NADPH–hemoprotein reductase] + O2 = an omega-hydroxy-long-chain fatty acid + oxidized [NADPH–hemoprotein reductase] + H2O + H(+) (RHEA:56748)

UniProt features (29 total): sequence variant 14, sequence conflict 9, binding site 2, propeptide 1, chain 1, modified residue 1, splice variant 1

Structure

Experimental structures (PDB)

0 structures.

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-Q5TCH4-F1	89.57	0.69

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): 321 (covalent); 457 (axial binding residue)

Post-translational modifications (1): 440

Function

Pathways and Gene Ontology

Reactome pathways

4 pathways

ID	Pathway
R-HSA-211935	Fatty acids
R-HSA-211958	Miscellaneous substrates
R-HSA-211979	Eicosanoids
R-HSA-2142691	Synthesis of Leukotrienes (LT) and Eoxins (EX)

MSigDB gene sets: 117 (showing top): GOBP_LIPID_MODIFICATION, REACTOME_BIOLOGICAL_OXIDATIONS, GOMF_OXIDOREDUCTASE_ACTIVITY_ACTING_ON_PAIRED_DONORS_WITH_INCORPORATION_OR_REDUCTION_OF_MOLECULAR_OXYGEN, GOBP_LONG_CHAIN_FATTY_ACID_METABOLIC_PROCESS, GOBP_MONOCARBOXYLIC_ACID_METABOLIC_PROCESS, GOBP_ORGANIC_ACID_BIOSYNTHETIC_PROCESS, GOBP_SMALL_MOLECULE_BIOSYNTHETIC_PROCESS, WIEMANN_TELOMERE_SHORTENING_AND_CHRONIC_LIVER_DAMAGE_UP, KEGG_PPAR_SIGNALING_PATHWAY, ICHIBA_GRAFT_VERSUS_HOST_DISEASE_35D_DN, GOBP_LIPID_METABOLIC_PROCESS, GOBP_ORGANIC_ACID_METABOLIC_PROCESS, GOBP_LINOLEIC_ACID_METABOLIC_PROCESS, GOMF_OXIDOREDUCTASE_ACTIVITY_ACTING_ON_CH_OH_GROUP_OF_DONORS, GOBP_UNSATURATED_FATTY_ACID_METABOLIC_PROCESS

GO Biological Process (7): kidney development (GO:0001822), lipid hydroxylation (GO:0002933), arachidonate metabolic process (GO:0019369), linoleic acid metabolic process (GO:0043651), icosanoid biosynthetic process (GO:0046456), lauric acid metabolic process (GO:0048252), lipid metabolic process (GO:0006629)

GO Molecular Function (12): iron ion binding (GO:0005506), arachidonate monooxygenase activity (GO:0008391), alkane 1-monooxygenase activity (GO:0018685), heme binding (GO:0020037), long-chain fatty acid omega-hydroxylase activity (GO:0102033), 16-hydroxypalmitate dehydrogenase activity (GO:0103002), medium-chain fatty acid omega-hydroxylase activity (GO:0140981), monooxygenase activity (GO:0004497), oxidoreductase activity (GO:0016491), oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen (GO:0016705), 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), metal ion binding (GO:0046872)

GO Cellular Component (4): obsolete extracellular space (GO:0005615), endoplasmic reticulum membrane (GO:0005789), endoplasmic reticulum (GO:0005783), membrane (GO:0016020)

Reactome top-level categories

Rollup of top-2 pathways:

Category	Pathways
Cytochrome P450 - arranged by substrate type	3
Arachidonate metabolism	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
long-chain fatty acid metabolic process	2
icosanoid metabolic process	2
unsaturated fatty acid metabolic process	2
olefinic compound metabolic process	2
monooxygenase activity	2
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen	2
fatty acid omega-hydroxylase activity	2
oxidoreductase activity	2
animal organ development	1
renal system development	1
lipid modification	1
carboxylic acid biosynthetic process	1
medium-chain fatty acid metabolic process	1
primary metabolic process	1
transition metal ion binding	1
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced iron-sulfur protein as one donor, and incorporation of one atom of oxygen	1
tetrapyrrole binding	1
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor	1
catalytic activity	1
cation binding	1
organelle membrane	1
nuclear outer membrane-endoplasmic reticulum membrane network	1
endoplasmic reticulum subcompartment	1
cytoplasm	1
endomembrane system	1
intracellular membrane-bounded organelle	1
cellular anatomical structure	1

Protein interactions and networks

STRING

1474 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
CYP4A22	CYP2W1	Q8TAV3	447
CYP4A22	CYP7B1	O75881	404
CYP4A22	PPIG	Q13427	399
CYP4A22	AKR1C1	P52896	386
CYP4A22	CYP2F1	P24903	365
CYP4A22	CYB5R3	P00387	364
CYP4A22	ACAA1	P09110	357
CYP4A22	CYB5R1	Q9UHQ9	353
CYP4A22	CYB5R4	Q7L1T6	353
CYP4A22	CYB5R2	Q6BCY4	353
CYP4A22	NAMPT	P43490	350
CYP4A22	AKR1C2	P52895	348
CYP4A22	CYP8B1	Q9UNU6	340
CYP4A22	CYB5RL	Q6IPT4	325
CYP4A22	EHHADH	Q08426	304

IntAct

3 interactions, top by confidence:

A	B	Type	Score
CYP4A22	CYP4A11	psi-mi:“MI:0915”(physical association)	0.400
CYP4A22	CANX	psi-mi:“MI:0915”(physical association)	0.400

BioGRID (2): CYP4A11 (Affinity Capture-MS), CANX (Affinity Capture-MS)

ESM2 similar proteins: A2A974, O35728, O88833, P00184, P00186, P04799, P08516, P08684, P10611, P13584, P14579, P14581, P15128, P15129, P20815, P20816, P20817, P24453, P24462, P24463, P24464, P33268, P51869, P56592, P78329, P79102, P79401, Q00557, Q02928, Q06367, Q08477, Q0IIF9, Q29496, Q3LFT9, Q4V8D1, Q5KQT6, Q5TCH4, Q64391, Q64462, Q64464

Diamond homologs: A0A067DE75, A0A067ELB0, A0A067GFT7, A0A0B4L1W8, A0A0S2II38, A0A0U2U8U5, A0A140JWM8, A0A1D8QMD2, A0A1I9Q5Z0, A0A2H5AIX6, A0A3Q7HBJ5, A0A3Q7HS74, A0A5B8NBK9, A0A5B8ND26, A0A9E7S4M3, A0AAW1JA93, A0AAW1NEA3, A2A974, A2RRT9, A2Z212, A5BFI4, A9QNE7, F6H9N6, H2DH16, I1RE80, I7C6E8, I7CT85, K4CEE8, K4CI52, O14442, O18993, O35728, O46512, O48958, O81077, P08516, P0DXH8, P0DXI3, P0DXU9, P11511

SIGNOR signaling

0 interactions.

Disease & clinical

Clinical variants and AI predictions

ClinVar

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

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	0
Uncertain significance	68
Likely benign	5
Benign	0

Top pathogenic / likely-pathogenic (0)

SpliceAI

1581 predictions. Top by Δscore:

Variant	Effect	Δscore
1:47137678:G:GT	donor_gain	1.0000
1:47142106:AG:A	acceptor_gain	1.0000
1:47142107:GG:G	acceptor_gain	1.0000
1:47142232:GCTG:G	donor_gain	1.0000
1:47142234:TGGT:T	donor_loss	1.0000
1:47142236:G:GG	donor_gain	1.0000
1:47142236:GT:G	donor_loss	1.0000
1:47142237:TGA:T	donor_loss	1.0000
1:47142238:GAG:G	donor_loss	1.0000
1:47143263:CCACA:C	acceptor_loss	1.0000
1:47143264:CACA:C	acceptor_loss	1.0000
1:47143265:ACAGG:A	acceptor_loss	1.0000
1:47143266:CAGG:C	acceptor_loss	1.0000
1:47143267:A:AT	acceptor_loss	1.0000
1:47143390:ACAGG:A	donor_loss	1.0000
1:47143391:CAGG:C	donor_loss	1.0000
1:47143392:AGGTC:A	donor_loss	1.0000
1:47143393:GG:G	donor_loss	1.0000
1:47143395:T:G	donor_loss	1.0000
1:47144349:T:A	acceptor_gain	1.0000
1:47144353:ACAG:A	acceptor_loss	1.0000
1:47144354:C:G	acceptor_gain	1.0000
1:47144355:A:AG	acceptor_gain	1.0000
1:47144356:G:GG	acceptor_gain	1.0000
1:47144356:G:GT	acceptor_loss	1.0000
1:47144356:GA:G	acceptor_gain	1.0000
1:47144356:GAC:G	acceptor_gain	1.0000
1:47144356:GACC:G	acceptor_gain	1.0000
1:47144356:GACCA:G	acceptor_gain	1.0000
1:47144462:AA:A	donor_gain	1.0000

AlphaMissense

3424 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
1:47146095:T:C	F436L	0.918
1:47146097:T:A	F436L	0.918
1:47146097:T:G	F436L	0.918
1:47146137:T:C	F450L	0.914
1:47146139:C:A	F450L	0.914
1:47146139:C:G	F450L	0.914
1:47142173:T:C	F150L	0.903
1:47142175:C:A	F150L	0.903
1:47142175:C:G	F150L	0.903
1:47148669:T:C	F478L	0.895
1:47148671:T:A	F478L	0.895
1:47148671:T:G	F478L	0.895
1:47146128:T:C	F447L	0.893
1:47146130:C:A	F447L	0.893
1:47146130:C:G	F447L	0.893
1:47137636:T:C	F51L	0.892
1:47137638:C:A	F51L	0.892
1:47137638:C:G	F51L	0.892
1:47146080:T:C	F431L	0.886
1:47146082:T:A	F431L	0.886
1:47146082:T:G	F431L	0.886
1:47140828:T:C	F82L	0.875
1:47140830:C:A	F82L	0.875
1:47140830:C:G	F82L	0.875
1:47143362:T:C	F202L	0.851
1:47143364:C:A	F202L	0.851
1:47143364:C:G	F202L	0.851
1:47144921:A:C	R391S	0.826
1:47144921:A:T	R391S	0.826
1:47144604:T:C	F318L	0.809

dbSNP variants (sampled 300 via entrez): RS1000056342 (1:47147173 C>A,T), RS1000090066 (1:47146779 A>G), RS1000323845 (1:47141515 G>A), RS1000862764 (1:47136944 A>C), RS1000932246 (1:47142834 T>C), RS1001088676 (1:47148316 C>A), RS1001364981 (1:47142476 A>G), RS1001721194 (1:47145798 C>A,T), RS1002035652 (1:47139790 A>G), RS1002506068 (1:47149513 G>C), RS1003427941 (1:47144100 A>G), RS1003924180 (1:47138900 T>C), RS1004930981 (1:47140501 A>G,T), RS1005046152 (1:47140250 T>C,G), RS1006026525 (1:47148905 C>A,T)

Disease associations

OMIM: gene MIM:615341 | disease phenotypes:

GenCC curated gene-disease

Mondo (1): pulmonary disease, chronic obstructive, susceptibility to (MONDO:0100167)

Orphanet (0):

HPO phenotypes

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

GWAS associations

2 associations (top):

Study	Trait	p-value
GCST002595_12	Clozapine-induced agranulocytosis	2.000000e-06
GCST006249_80	Serum metabolite levels	4.000000e-12

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (1): CHEMBL4523986 (PROTEIN FAMILY)

Molecules with ChEMBL bioactivity

1 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 15,540 (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
CHEMBL477772	PAZOPANIB	4	15,540

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

GtoPdb / IUPHAR curated pharmacology

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

Target class: enzyme — CYP4 family

ChEMBL bioactivities

16 potent at pChembl≥5 of 17 total, top 16 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
6.60	IC50	251.2	nM	CHEMBL601428
6.16	IC50	700	nM	CHEMBL3330409
6.05	IC50	900	nM	CHEMBL3330410
5.96	IC50	1100	nM	CHEMBL2130955
5.72	IC50	1900	nM	CHEMBL2130955
5.60	IC50	2500	nM	CHEMBL5612347
5.55	IC50	2800	nM	CHEMBL2130955
5.43	IC50	3700	nM	CHEMBL5406721
5.43	IC50	3700	nM	CHEMBL46909
5.42	IC50	3800	nM	CHEMBL5418617
5.41	IC50	3900	nM	CHEMBL5429178
5.31	IC50	4900	nM	CHEMBL2130955
5.23	IC50	5900	nM	CHEMBL5406218
5.22	IC50	6053	nM	CHEMBL65590
5.10	IC50	7900	nM	PAZOPANIB
5.00	IC50	1e+04	nM	CHEMBL5395150

PubChem BioAssay actives

18 with measured affinity, of 466 total; 15 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
8-imidazol-1-yl-5,6,7,8-tetrahydroquinoline	2022035: Inhibition of CYP450 (unknown origin)	ic50	0.0335	uM
N-(4-chlorophenyl)-5-ethyl-N-methyl-3-phenyl-1,2-oxazole-4-carboxamide	2108148: Inhibition of CYP450 (unknown origin)	ic50	0.2512	uM
2-(dimethylamino)-2-(2-ethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide	2119433: Inhibition of CYP450 (unknown origin)	ic50	0.7000	uM
2-pyrrolidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-3-ylacetamide	2119433: Inhibition of CYP450 (unknown origin)	ic50	0.9000	uM
2-[4-(trifluoromethyl)phenyl]chromen-4-one	1860369: Inhibition of CYP450 in human HCT-116 cells assessed as 20-HETE formation in presence of arachidonic acid incubated for 15 mins by multi-enzyme assay based LC-MS/MS analysis	ic50	1.1000	uM
4-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-N-[[(7R)-5,6,7,8-tetrahydro-1,6-naphthyridin-7-yl]methyl]cyclohexane-1,4-diamine	2124397: Inhibition of CYP450 (unknown origin)	ic50	2.5000	uM
1-[3-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	3.7000	uM
1-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	3.7000	uM
2,4-bis(3,5-dimethoxyphenyl)pyrimidine	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	3.8000	uM
2,5-bis(3,5-dimethoxyphenyl)thiophene	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	3.9000	uM
4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	5.9000	uM
1-pyridin-4-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-ol	2022025: Inhibition of CYP450 in human liver microsomes	ic50	6.0534	uM
(5R)-3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one	306257: Inhibition of CYP450	ic50	7.9433	uM
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one	306257: Inhibition of CYP450	ic50	10.0000	uM
1-[3-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene	1973305: Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis	ic50	10.0000	uM

CTD chemical–gene interactions

15 total (human), top 15 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
perfluorooctanoic acid	decreases expression, increases expression	3
perfluorooctane sulfonic acid	decreases expression, increases expression	2
Benzo(a)pyrene	increases methylation, decreases expression	2
aristolochic acid I	increases expression	1
methyleugenol	decreases expression	1
bisphenol A	decreases methylation	1
senkirkine	decreases expression	1
VX-agent	decreases expression	1
heliotrine	decreases expression	1
fipronil	affects cotreatment, decreases expression	1
DEET	decreases expression, affects cotreatment	1
Fenofibrate	increases expression	1
Pyrrolizidine Alkaloids	decreases expression	1
Palmitic Acid	decreases expression	1
Okadaic Acid	decreases expression	1

ChEMBL screening assays

183 unique, capped per target: 181 admet, 2 binding

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL2060324	ADMET	Inhibition of CYP450	Rapid identification of ETP-46992, orally bioavailable PI3K inhibitor, selective versus mTOR. — Bioorg Med Chem Lett
CHEMBL4614611	Binding	Drug metabolism in human liver microsomes assessed as Cytochrome P450-mediated formation of 12-OHNVP by measuring Kcat/Km ratio in presence of NADPH regenerating reagents by uHPLC-MS/MS analysis	Twelfth-Position Deuteration of Nevirapine Reduces 12-Hydroxy-Nevirapine Formation and Nevirapine-Induced Hepatocyte Death. — J Med Chem

Clinical trials (associated diseases)

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