Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | F2 | P00734 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | NMT2 | O60551 | 1/20 | 0.41 |
| ▸ | NMT1 | P30419 | 1/20 | 0.41 |
| ▸ | KLK1 | P06870 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | F9 | P00740 | 2/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 3/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7706280 | 0.99 | CYP2A6 (0.52) | CYP2A6F2ALDH1A1MAPK10NMT2 | |
| SCHEMBL7703671 | 0.84 | CYP2A6 (0.56) | CYP2A6ALDH1A1MAPK10NMT2NMT1 | |
| Hydrochloric Acid SCHEMBL7706262 | 0.79 | CA12 (0.52) | ALDH1A1RXFP1LMNACYP1A2CYP3A4 | |
| Dimethylamine SCHEMBL4816250 | 0.78 | CYP2A6 (0.52) | CYP2A6ALDH1A1MAPK10NMT2NMT1 | |
| SCHEMBL7703779 | 0.77 | CA12 (0.53) | ALDH1A1RXFP1LMNACYP1A2CYP3A4 | |
| SCHEMBL28987426 | 0.76 | MEN1 (0.52) | CYP2A6ALDH1A1MAPK10CSNK2A2CSNK2B | |
| Hydrochloric Acid SCHEMBL7701258 | 0.72 | ALB (0.39) | F2ALDH1A1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL7703604 | 0.70 | ALB (0.39) | F2ALDH1A1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL15357291 | 0.69 | CYP2A6 (0.50) | CYP2A6ALDH1A1NMT2NMT1TP53 | |
| SCHEMBL27252710 | 0.69 | NMT2 (0.57) | ALDH1A1NMT2NMT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906301-B1 | BENZOFURYL DERIVATIVES AND THEIR USE | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-5955495-A | BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S | HOFFMANN-LA ROCHE INC. (US) | 1999-09-21 | — | — | US | disclosed |
| EP-0906301-A1 | BENZOFURYL DERIVATIVES AND THEIR USE | F. HOFFMANN-LA ROCHE AG (CH) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997042183-A1 | BENZOFURYL DERIVATIVES AND THEIR USE | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-13 | — | — | WO | disclosed |