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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.37 |
| ▸ | OPRD1 known ✓ | P41143 | 2/20 | 0.36 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.36 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.35 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.34 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6651603 | 0.86 | PIN1 (0.60) | PIN1KDM4EMEN1NPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10647308 | 0.85 | PIN1 (0.40) | PIN1KIF11KDM4EMEN1NPC1 | |
| Hydrochloric Acid SCHEMBL8963719 | 0.83 | PIN1 (0.54) | PIN1KDM4ENPC1ALDH1A1PKM | |
| Hydrochloric Acid SCHEMBL8964197 | 0.83 | HDAC6 (0.47) | KIF11NPC1HTTRAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8963838 | 0.82 | PIN1 (0.57) | PIN1KDM4EALDH1A1SLC9A1MGAM | |
| SCHEMBL6689343 | 0.80 | PIN1 (0.58) | PIN1KDM4EALDH1A1SLC9A1MGAM | |
| Hydrochloric Acid SCHEMBL1436115 | 0.79 | PIN1 (0.50) | PIN1KDM4EMEN1NPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8963788 | 0.78 | PIN1 (0.57) | PIN1KDM4ECYP1A2CYP2C9SLC9A1 | |
| Hydrochloric Acid SCHEMBL8963785 | 0.77 | PIN1 (0.43) | PIN1KIF11KDM4EMEN1NPC1 | |
| Hydrochloric Acid SCHEMBL8963894 | 0.75 | PIN1 (0.42) | PIN1KIF11KDM4EMEN1NPC1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5514800-A | CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1996-05-07 | — | — | US | disclosed |
| US-5276034-A | Cardiovascular disorders, nervous system disorders, diuretics, antiischemic agents or antispasmodic agents | SYNTEX PHARMACEUTICAL LTD. (GB) | 1994-01-04 | — | — | US | disclosed |
| US-5252736-A | Calcium channel antagonists | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1993-10-12 | — | — | US | disclosed |
| EP-0289227-B1 | SUBSTITUTED IMIDAZOLYL-ALKYL-PIPERAZINE AND -DIAZEPINE DERIVATIVES | SYNTEX PHARMACEUTICALS LTD. (GB) | 1992-04-08 | — | — | EP | disclosed |
| US-5091428-A | Calcium channel blockers preferential for cerebral blood vessels | SYNTEX PHARMACEUTICALS, LTD. (BM) | 1992-02-25 | — | — | US | disclosed |
| US-5043447-A | Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1991-08-27 | — | — | US | disclosed |
| US-5010075-A | Antiepilepic, hypotensive, antiarrhythmia, antiischemic agent | SYNTEX PHARMACEUTICALS LTD. (GB) | 1991-04-23 | — | — | US | disclosed |
| US-4935417-A | CALCIUM CHANNEL BLOCKERS | SYNTEX PHARMACEUTICALS LTD. (BM) | 1990-06-19 | — | — | US | disclosed |
| US-4829065-A | Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1989-05-09 | — | — | US | disclosed |
| EP-0289227-A1 | Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives | SYNTEX PHARMACEUTICALS LTD. (GB) | 1988-11-02 | — | — | EP | disclosed |