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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 known ✓ | Q9UBN7 | 2/20 | 0.43 |
| ▸ | PARP1 known ✓ | P09874 | 5/20 | 0.37 |
| ▸ | TNKS | O95271 | 8/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 8/20 | 0.40 |
| ▸ | GCGR | P47871 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8963672 | 0.89 | HDAC6 (0.46) | HDAC6TNKSTNKS2GCGRPARP1 | |
| Hydrochloric Acid SCHEMBL8963894 | 0.84 | PIN1 (0.42) | HDAC6HTTSMN1; SMN2ALDH1A1PDE2A | |
| Hydrochloric Acid SCHEMBL8963854 | 0.84 | MAPK1 (0.44) | TNKSTNKS2GCGRSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8963595 | 0.82 | PIN1 (0.46) | TNKSTNKS2PARP1ALDH1A1 | |
| SCHEMBL8963655 | 0.82 | HDAC6 (0.44) | HDAC6TNKSTNKS2GCGRPARP1 | |
| SCHEMBL9682586 | 0.81 | PIN1 (0.47) | TNKSTNKS2PARP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8963572 | 0.81 | KDM4E (0.43) | TNKSTNKS2PARP1SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8963856 | 0.78 | RAB9A (0.35) | HDAC6TNKSTNKS2GCGRPARP1 | |
| Hydrochloric Acid SCHEMBL8963808 | 0.76 | TRPA1 (0.33) | HTTSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8963959 | 0.75 | PIN1 (0.50) | NPBWR1SMN1; SMN2ALDH1A1 |
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 |