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 | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 2/20 | 0.44 |
| ▸ | CACNB3 known ✓ | P54284 | 1/20 | 0.44 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.44 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.44 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.44 |
| ▸ | CACNA2D2 known ✓ | Q9NY47 | 1/20 | 0.44 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | PEPD | P12955 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 3/20 | 0.35 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25592 | 0.98 | ALDH1A1 (0.46) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| Hydrochloric Acid SCHEMBL8498469 | 0.95 | ALDH1A1 (0.51) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL25682 | 0.94 | ALDH1A1 (0.50) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL561172 | 0.93 | ALDH1A1 (0.53) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL5492741 | 0.90 | CACNA2D1 (0.48) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL3122026 | 0.82 | CACNA2D1 (0.54) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL3118255 | 0.82 | CACNA2D1 (0.54) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL1913830 | 0.82 | CACNA2D1 (0.54) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL1913767 | 0.78 | CACNA2D1 (0.54) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL3114901 | 0.78 | CACNA2D1 (0.54) | ALDH1A1CACNA2D1CACNB3CACNA1CPGR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0937032-B1 | SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS | WARNER LAMBERT CO (US) | 2007-05-09 | — | — | EP | claimed |
| US-6153650-A | TREATMENT OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, NEUROPATHOLOGICAL DISORDERS, INFLAMMATION, AND GASTROINTESTINAL DAMAGE. | WARNER-LAMBERT COMPANY (US) | 2000-11-28 | — | — | US | claimed |
| EP-0937032-A1 | SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 1999-08-25 | — | — | EP | claimed |
| WO-1998017627-A1 | SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-04-30 | — | — | WO | claimed |
| EP-0937032-B1 | SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS | WARNER LAMBERT CO (US) | 2007-05-09 | — | — | EP | disclosed |
| US-6153650-A | TREATMENT OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, NEUROPATHOLOGICAL DISORDERS, INFLAMMATION, AND GASTROINTESTINAL DAMAGE. | WARNER-LAMBERT COMPANY (US) | 2000-11-28 | — | — | US | disclosed |
| EP-0937032-A1 | SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998017627-A1 | SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-04-30 | — | — | WO | disclosed |