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 | |
|---|---|---|---|---|
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.50 |
| ▸ | BCHE known ✓ | P06276 | 1/20 | 0.43 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 known ✓ | P23458 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.61 |
| ▸ | CES1 | P23141 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.43 |
| ▸ | ITGAL | P20701 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL203321 | 0.97 | CES2 (0.64) | CES2CES1PARP1LMNAMEN1 | |
| SCHEMBL28267101 | 0.95 | CES2 (0.61) | CES2CES1PARP1LMNAMEN1 | |
| 1,2-Dichloroethane SCHEMBL27939899 | 0.87 | CES2 (0.52) | CES2CES1PARP1LMNAMEN1 | |
| Trifluoroacetic Acid SCHEMBL15568889 | 0.85 | CES1 (0.50) | CES2CES1PARP1LMNAMEN1 | |
| Hydrochloric Acid SCHEMBL15568289 | 0.85 | PBRM1 (0.56) | CES2CES1LMNAMEN1KMT2A | |
| SCHEMBL29349853 | 0.84 | CES2 (0.54) | CES2CES1PARP1LMNAKMT2A | |
| SCHEMBL164708 | 0.84 | CES2 (0.54) | CES2CES1PARP1LMNAMEN1 | |
| SCHEMBL8174459 | 0.84 | CES2 (0.54) | CES2CES1PARP1LMNAMEN1 | |
| SCHEMBL11266406 | 0.84 | CES2 (0.54) | CES2CES1PARP1LMNAKMT2A | |
| SCHEMBL31384796 | 0.82 | CES2 (0.52) | CES2CES1PARP1LMNAMEN1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104540806-B | Azaheterocycles as BIR2 and/or BIR3 inhibitors | 霍夫曼-拉罗奇有限公司 | 2017-05-03 | — | — | CN | claimed |
| US-9422332-B2 | Azaheterocycles as BIR2 and/or BIR3 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2016-08-23 | — | — | US | claimed |
| US-20150210739-A1 | AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS | HOFFMANN-LA ROCHE INC. | 2015-07-30 | — | — | US | claimed |
| EP-2885275-A1 | AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2015-06-24 | — | — | EP | claimed |
| CN-104540806-A | Azaheterocycles as BIR2 and/or BIR3 inhibitors | HOFFMANN LA ROCHE | 2015-04-22 | — | — | CN | claimed |
| WO-2014026882-A1 | AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-20 | — | — | WO | claimed |
| US-6200984-B1 | BINDERS FOR G-AMINOBUTYRIC ACID RECEPTORS; ANXIOLYTIC AGENTS, ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-03-13 | — | — | US | claimed |
| CN-104876859-B | Pyrrole worm is grand and preparation method thereof | 常州佳灵药业有限公司 | 2018-03-13 | — | — | CN | disclosed |
| CN-104540806-B | Azaheterocycles as BIR2 and/or BIR3 inhibitors | 霍夫曼-拉罗奇有限公司 | 2017-05-03 | — | — | CN | disclosed |
| US-9422332-B2 | Azaheterocycles as BIR2 and/or BIR3 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2016-08-23 | — | — | US | disclosed |
| US-20150210739-A1 | AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS | HOFFMANN-LA ROCHE INC. | 2015-07-30 | — | — | US | disclosed |
| EP-2885275-A1 | AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2015-06-24 | — | — | EP | disclosed |
| CN-104540806-A | Azaheterocycles as BIR2 and/or BIR3 inhibitors | HOFFMANN LA ROCHE | 2015-04-22 | — | — | CN | disclosed |
| WO-2014026882-A1 | AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-20 | — | — | WO | disclosed |
| EP-1984338-A2 | PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | Synta Pharmaceuticals Corporation (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007089904-A2 | PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP. (US) | 2007-08-09 | — | — | WO | disclosed |
| WO-2001017992-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2001-03-15 | — | — | WO | disclosed |
| EP-1025101-A1 | NAPHTHO-IMIDAZO 1,2-A]PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999018104-A1 | NAPHTHO-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 1999-04-15 | — | — | WO | disclosed |
| US-5386057-A | Process for the preparation of acyl isocyanates | SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) | 1995-01-31 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150210739-A1 | AZAHETEROCYCLES AS BIR2 AND/OR BIR3 INHIBITORS | BIRC3, BIRC5, BIRC2 | PARP1 51/4885BCHE 2602/4885JAK2 2965/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.