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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.48 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.48 |
| ▸ | HTR7 known ✓ | P34969 | 2/20 | 0.48 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.39 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.39 |
| ▸ | DDB1 known ✓ | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.38 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | EED | O75530 | 1/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL5319435 | 0.99 | CHRM4 (0.49) | CHRM4DRD2HTR7KMT2AEED | |
| Cadaverine Tartrate SCHEMBL7765577 | 0.89 | CHRM4 (0.42) | CHRM4DRD2HTR7KMT2AEED | |
| Hydrochloric Acid SCHEMBL5319527 | 0.86 | CHRM4 (0.49) | CHRM4DRD2HTR7EEDIDO1 | |
| SCHEMBL7115062 | 0.85 | CHRM4 (0.50) | CHRM4DRD2HTR7EEDIDO1 | |
| Hydrochloric Acid SCHEMBL11733745 | 0.85 | GLA (0.45) | KMT2AMEN1CRBN | |
| SCHEMBL31013097 | 0.83 | GLA (0.46) | KMT2AMEN1CRBN | |
| SCHEMBL3009582 | 0.83 | GLA (0.46) | KMT2AMEN1CRBN | |
| SCHEMBL27468958 | 0.82 | HTR7 (0.47) | CHRM4DRD2HTR7EEDIDO1 | |
| SCHEMBL8145005 | 0.80 | HDAC8 (0.42) | DDB1CRBN | |
| SCHEMBL7764713 | 0.76 | EED (0.51) | CHRM4DRD2HTR7KMT2AEED |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3887756-B2 | — | — | 2007-02-28 | — | — | JP | claimed |
| EP-0842153-B1 | METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2\"R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE | BOEHRINGER INGELHEIM PHARMA (DE) | 2001-05-30 | — | — | EP | claimed |
| US-5945535-A | Method of preparing norbenzomorphanes | BOEHRINGER INGELHEIM KG (DE) | 1999-08-31 | — | — | US | claimed |
| EP-0842153-A1 | METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2\"R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE | BOEHRINGER INGELHEIM KG (DE) | 1998-05-20 | — | — | EP | claimed |
| WO-1997006146-A1 | METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2'R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE | BOEHRINGER INGELHEIM KG (DE) | 1997-02-20 | — | — | WO | claimed |
| EP-0842153-B1 | METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2\"R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE | BOEHRINGER INGELHEIM PHARMA (DE) | 2001-05-30 | — | — | EP | disclosed |
| US-6140502-A | Heat-based process for the re-racemisation of a (-)-2-phenylmethyl-3,3-dimethyl-piperidin-4-on derivative | BOEHRINGER INGELHEIM KG (DE) | 2000-10-31 | — | — | US | disclosed |
| US-6136980-A | Method of preparing norbenzomorphane as an intermediate in the preparation of pharmaceutically useful benzomorphane derivatives, in particular (-)-(1R,5S,2\"R)-3'-hydroxy-2-(2-methoxypropyl)-5,9,9-trimethyl-6,7-benzo morphane | BOEHRINGER INGELHEIM KG (DE) | 2000-10-24 | — | — | US | disclosed |
| EP-1028945-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | Amgen Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| US-6054604-A | Method of preparing norbenzomorphane as an intermediate | BOEHRINGER INGELHEIM KG (DE) | 2000-04-25 | — | — | US | disclosed |
| US-5945535-A | Method of preparing norbenzomorphanes | BOEHRINGER INGELHEIM KG (DE) | 1999-08-31 | — | — | US | disclosed |
| WO-1999024404-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | AMGEN INC. (US) | 1999-05-20 | — | — | WO | disclosed |
| EP-0842153-A1 | METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2\"R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE | BOEHRINGER INGELHEIM KG (DE) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997006146-A1 | METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2'R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE | BOEHRINGER INGELHEIM KG (DE) | 1997-02-20 | — | — | WO | disclosed |