Naphthalene

Naphthalene

SCHEMBL4887889

Cl.Cl.N.N.c1ccc2ccccc2c1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Naphthalene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 1/20 0.42
▸ GLA known ✓ P06280 1/20 0.39
▸ ACHE known ✓ P22303 1/20 0.39
▸ CYP2A6 P11509 7/20 0.80
▸ ALOX12 P18054 1/20 0.80
▸ ALDH1A1 P00352 6/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ TSHR P16473 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP1A2 P05177 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ HPRT1 P00492 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Naphthalene SCHEMBL27495716 1.00 CYP2A6 (0.80) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL27908546 1.00 CYP2A6 (0.80) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL430345 1.00 CYP2A6 (0.80) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL308599 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL15817793 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL5950130 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL184189 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL8525098 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL20578254 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL5950127 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109765327-B Sampling device for detecting coke oven flue gas components 中冶焦耐(大连)工程技术有限公司 2024-07-09 — — CN disclosed
US-20080227854-A1 Compound 3-(1, 1-Dimethyl-Allyl)-6-Hydroxy-Chromen-2-One and its Pharmaceutically Acceptable Salts Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-09-18 — — US disclosed
EP-0730451-A4 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RES FOUNDATION INC (US) 2001-11-28 — — EP disclosed
US-6103888-A HUMAN CDNA HAVING SPECIFIC NUCLEOTIDE SEQUENCE OR COMPLEMENTARY SEQUENCE; FOR RECOMBINANT PRODUCTION OF PROTEINS FOR TREATMENT AND DIAGNOSIS OF GRAMNEGATIVE SEPSIS; TREATMENT OF DISSEMINATED INTRAVASCULAR COAGULATION PANORAMA RESEARCH, INC. (US) 2000-08-15 — — US disclosed
US-5874433-A Blocking utilization of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-02-23 — — US disclosed
EP-0746605-A4 MAMMALIAN CATIONIC PROTEINS HAVING LIPOPOLYSACCHARIDE BINDING AND ANTI-COAGULANT ACTIVITY PANORAMA RES INC (US) 1997-04-16 — — EP disclosed
US-5618675-A EXPOSING SAMPLE TO A SPECIFIC POLYPEPTIDE WHICH BINDS LIPOPOLYSACCHARIDE, DETECTING BINDING; USEFUL FOR DIAGNOSIS OF GRAMNEGATIVE SEPSIS, ENDOTOXIN SHOCK OR DISSEMINATED INTRAVASCULAR COAGULATION PANORAMA RESEARCH, INC. (US) 1997-04-08 — — US disclosed
EP-0746605-A1 MAMMALIAN CATIONIC PROTEINS HAVING LIPOPOLYSACCHARIDE BINDING AND ANTI-COAGULANT ACTIVITY PANORAMA RESEARCH, INC. (US) 1996-12-11 — — EP disclosed
EP-0730451-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-09-11 — — EP disclosed
US-5502050-A DIHYDROXYPHENYL-SUBSTITITED PYRIDINES OR QUINONES, HYPERTENSIVE AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-03-26 — — US disclosed
WO-1995014468-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION INC. (US) 1995-06-01 — — WO disclosed
WO-1994002589-A1 MAMMALIAN CATIONIC PROTEINS HAVING LIPOPOLYSACCHARIDE BINDING AND ANTI-COAGULANT ACTIVITY PANORAMA RESEARCH, INC. (US) 1994-02-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080227854-A1 Compound 3-(1, 1-Dimethyl-Allyl)-6-Hydroxy-Chromen-2-One and its Pharmaceutically Acceptable Salts Thereof NOS3, NOS2, NOS1 CA2 271/4885GLA 1227/4885ACHE 893/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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