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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.34 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.33 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 3/20 | 0.55 |
| ▸ | APLNR | P35414 | 4/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 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 SCHEMBL12498663 | 1.00 | PDE2A (0.55) | PDE2AAPLNRDGAT1LMNATP53 | |
| SCHEMBL30263811 | 0.98 | PDE2A (0.56) | PDE2AAPLNRDGAT1LMNATP53 | |
| SCHEMBL16043191 | 0.98 | PDE2A (0.56) | PDE2AAPLNRDGAT1LMNATP53 | |
| SCHEMBL9947727 | 0.98 | PDE2A (0.56) | PDE2AAPLNRDGAT1LMNATP53 | |
| SCHEMBL701193 | 0.98 | PDE2A (0.56) | PDE2AAPLNRDGAT1LMNATP53 | |
| Hydrochloric Acid SCHEMBL20238110 | 0.84 | PDE2A (0.42) | PDE2AAPLNRDGAT1LMNATP53 | |
| Hydrochloric Acid SCHEMBL18449516 | 0.84 | PDE2A (0.42) | PDE2AAPLNRDGAT1LMNATP53 | |
| Hydrochloric Acid SCHEMBL20238109 | 0.84 | PDE2A (0.42) | PDE2AAPLNRDGAT1LMNATP53 | |
| SCHEMBL20238210 | 0.82 | PDE2A (0.43) | PDE2AAPLNRDGAT1LMNATP53 | |
| SCHEMBL14987514 | 0.82 | PDE2A (0.43) | PDE2AAPLNRDGAT1LMNATP53 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103249727-B | Biaryl amide derivatives | 霍夫曼-拉罗奇有限公司 | 2016-08-10 | — | — | CN | disclosed |
| US-20150065516-A1 | NEW BIARYL AMIDE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2015-03-05 | — | — | US | disclosed |
| US-8912221-B2 | Biaryl amide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-12-16 | — | — | US | disclosed |
| CN-103249727-A | New biaryl amide derivatives | HOFFMANN LA ROCHE | 2013-08-14 | — | — | CN | disclosed |
| US-20120165338-A1 | NEW BIARYL AMIDE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2012-06-28 | — | — | US | disclosed |
| US-7332499-B2 | Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides | MERCK & CO., INC. (US) | 2008-02-19 | — | — | US | disclosed |
| US-20060247229-A1 | Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides | MERCK SHARP & DOHME CORP. | 2006-11-02 | — | — | US | disclosed |
| EP-1501787-B1 | N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS | MERCK & CO INC (US) | 2005-11-09 | — | — | EP | disclosed |
| US-6919343-B2 | N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives | MERCK & CO., INC. (US) | 2005-07-19 | — | — | US | disclosed |
| US-20050084463-A1 | N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists | WOOD MICHAEL R (US) | 2005-04-21 | — | — | US | disclosed |
| US-20030220375-A1 | N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives | MERCK SHARP & DOHME LLC | 2003-11-27 | — | — | 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 (5 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-20150065516-A1 | NEW BIARYL AMIDE DERIVATIVES | BICRA, HDAC10, BRD7 | OPRM1 1610/4885HTR2A 1088/4885HTR2C 1113/4885 |
| US-20030220375-A1 | N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives | BDKRB1, BDKRB2, CNR2 | OPRM1 149/4885HTR2A 122/4885HTR2C 216/4885 |
| US-20050084463-A1 | N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists | BDKRB1, BDKRB2, CNR2 | OPRM1 207/4885HTR2A 134/4885HTR2C 235/4885 |
| US-20120165338-A1 | NEW BIARYL AMIDE DERIVATIVES | BICRA, HDAC10, BRD7 | OPRM1 1610/4885HTR2A 1088/4885HTR2C 1113/4885 |
| US-20060247229-A1 | Sulfonyl substituted n-(biarylmethyl) aminocyclopropanecarboxamides | BDKRB1, BDKRB2, CNR2 | OPRM1 238/4885HTR2A 272/4885HTR2C 293/4885 |
“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.