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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 11/20 | 0.59 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.52 |
| ▸ | REN known ✓ | P00797 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
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 SCHEMBL10535372 | 1.00 | ACE (0.59) | ACELMNAABCB11MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10536928 | 1.00 | ACE (0.59) | ACELMNAABCB11MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10805880 | 1.00 | ACE (0.59) | ACELMNAABCB11MEN1KMT2A | |
| SCHEMBL497515 | 0.99 | ACE (0.60) | ACELMNAABCB11MEN1KMT2A | |
| SCHEMBL1221172 | 0.99 | ACE (0.60) | ACELMNAABCB11MEN1KMT2A | |
| SCHEMBL4669890 | 0.99 | ACE (0.60) | ACELMNAABCB11MEN1KMT2A | |
| SCHEMBL4669921 | 0.99 | ACE (0.60) | ACELMNAABCB11MEN1KMT2A | |
| SCHEMBL3780597 | 0.99 | ACE (0.60) | ACELMNAABCB11MEN1KMT2A | |
| SCHEMBL28866775 | 0.99 | ACE (0.60) | ACELMNAABCB11MEN1KMT2A | |
| SCHEMBL3369452 | 0.99 | ACE (0.60) | ACELMNAABCB11MEN1KMT2A |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4532342-A | N-substituted amino acids as intermediates in the preparation of acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids | WARNER-LAMBERT COMPANY (US) | 1985-07-30 | — | — | US | claimed |
| EP-0088341-B1 | SUBSTITUTED ACYL DERIVATIVE OF OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID | WARNER-LAMBERT COMPANY (US) | 1987-07-22 | — | — | EP | disclosed |
| EP-0049605-B1 | SUBSTITUTED ACYL DERIVATIVES OF 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACIDS, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES OR SALTS, AND THE PRODUCTION OF THE SAME | WARNER-LAMBERT COMPANY (US) | 1987-03-18 | — | — | EP | disclosed |
| US-4532342-A | N-substituted amino acids as intermediates in the preparation of acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids | WARNER-LAMBERT COMPANY (US) | 1985-07-30 | — | — | US | disclosed |
| US-4490386-A | Phosphate salts of 1-[2-[(1-alkoxycarbonyl-3-aralkyl)-amino]-1-oxoalkyl]octahydro-1H-indole-2-carboxylic acids, preparation of, and medical compositions thereof | WARNER-LAMBERT COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| EP-0058567-B1 | SUBSTITUTED ACYL DERIVATIVES OF OCTAHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACIDS AND ESTERS | WARNER-LAMBERT COMPANY (US) | 1984-07-25 | — | — | EP | disclosed |
| US-4425355-A | HYPOTENSIVE | WARNER-LAMBERT COMPANY (US) | 1984-01-10 | — | — | US | disclosed |
| EP-0096157-A2 | Substituted acyl derivatives of 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid | WARNER-LAMBERT COMPANY (US) | 1983-12-21 | — | — | EP | disclosed |
| EP-0088341-A1 | Substituted acyl derivative of octahydro-1H-indole-2-carboxylic acid | WARNER-LAMBERT COMPANY (US) | 1983-09-14 | — | — | EP | disclosed |
| EP-0088342-A1 | Substituted acyl derivatives of octahydro-1H-indole-2-carboxylic acids | WARNER-LAMBERT COMPANY (US) | 1983-09-14 | — | — | EP | disclosed |
| US-4350704-A | HYPOTENSIVE AGENTS | WARNER-LAMBERT COMPANY (US) | 1982-09-21 | — | — | US | disclosed |
| EP-0058567-A1 | Substituted acyl derivatives of octahydro-1H-isoindole-1-carboxylic acids and esters | WARNER-LAMBERT COMPANY (US) | 1982-08-25 | — | — | EP | disclosed |
| US-4344949-A | Substituted acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids | WARNER-LAMBERT COMPANY (US) | 1982-08-17 | — | — | US | disclosed |
| EP-0049605-A1 | Substituted acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids, salts thereof, pharmaceutical compositions containing the derivatives or salts, and the production of the same | WARNER-LAMBERT COMPANY (US) | 1982-04-14 | — | — | EP | disclosed |
| EP-0037231-A2 | Substituted acyl derivatives of octahydro-1H-indole-2-carboxylic acids | WARNER-LAMBERT COMPANY (US) | 1981-10-07 | — | — | EP | disclosed |