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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.57 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.61 |
| ▸ | CPA1 | P15085 | 2/20 | 0.58 |
| ▸ | CPB1 | P15086 | 1/20 | 0.58 |
| ▸ | CPA3 | P15088 | 1/20 | 0.58 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.58 |
| ▸ | ALPI | P09923 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | XIAP | P98170 | 1/20 | 0.57 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.57 |
| ▸ | ANPEP | P15144 | 2/20 | 0.53 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 3/20 | 0.53 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.52 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.52 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.52 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
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 SCHEMBL654576 | 1.00 | EPHX1 (0.61) | EPHX1CPA1CPB1CPA3CPB2 | |
| SCHEMBL287736 | 0.98 | EPHX1 (0.64) | EPHX1CPA1CPB1CPA3CPB2 | |
| SCHEMBL123055 | 0.98 | EPHX1 (0.64) | EPHX1CPA1CPB1CPA3CPB2 | |
| SCHEMBL197907 | 0.98 | EPHX1 (0.64) | EPHX1CPA1CPB1CPA3CPB2 | |
| Acetic Acid SCHEMBL6690172 | 0.92 | ALPI (0.58) | EPHX1CPA1CPB1CPA3CPB2 | |
| Trifluoroacetic Acid SCHEMBL1395876 | 0.89 | EPHX1 (0.53) | EPHX1CPA1CPB1CPA3CPB2 | |
| Trifluoroacetic Acid SCHEMBL6157790 | 0.89 | EPHX1 (0.53) | EPHX1CPA1CPB1CPA3CPB2 | |
| Hydrochloric Acid SCHEMBL1912599 | 0.89 | SRR (0.55) | EPHX1CPA1CPB1CPA3CPB2 | |
| SCHEMBL2032416 | 0.87 | FFAR1 (0.55) | EPHX1CPA1CPB1CPA3CPB2 | |
| SCHEMBL29556848 | 0.87 | FFAR1 (0.55) | EPHX1CPA1CPB1CPA3CPB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2451782-B1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2016-11-09 | — | — | EP | disclosed |
| US-8822522-B2 | Dual-acting pyrazole antihypertensive agents | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-09-02 | — | — | US | disclosed |
| CN-101925596-B | Beta-amino acid derivatives for treatment of diabetes | MERCK PATENT GMBH | 2014-05-28 | — | — | CN | disclosed |
| US-20130245041-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2013-09-19 | — | — | US | disclosed |
| US-8350027-B2 | Dual-acting pyrazole antihypertensive agents | THERAVANCE, INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-20120259113-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2012-10-11 | — | — | US | disclosed |
| EP-2451782-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | Theravance, Inc. (US) | 2012-05-16 | — | — | EP | disclosed |
| US-8119634-B2 | Dual-acting pyrazole antihypertensive agents | THERAVANCE, INC. (US) | 2012-02-21 | — | — | US | disclosed |
| US-20110275634-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2011-11-10 | — | — | US | disclosed |
| US-7956054-B2 | Dual-acting pyrazole antihypertensive agents | THERAVANCE, INC. (US) | 2011-06-07 | — | — | US | disclosed |
| US-20110009409-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2011-01-13 | — | — | US | disclosed |
| WO-2011005674-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2011-01-13 | — | — | WO | disclosed |
| CN-101925596-A | Beta-amino acid derivatives for treatment of diabetes | MERCK PATENT GMBH | 2010-12-22 | — | — | CN | disclosed |
| US-6610882-B2 | Affinity for bradykinin receptors; antithrombotics | SANOFI-SYNTHELABO (FR) | 2003-08-26 | — | — | US | disclosed |
| US-20030073641-A1 | Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them | SANOFI-AVENTIS (FR) | 2003-04-17 | — | — | US | disclosed |
| US-20020115685-A1 | Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them | SANOFI-AVENTIS (FR) | 2002-08-22 | — | — | US | disclosed |
| US-6433185-B1 | ANTIINFLAMMATORY AGENTS; ANALGESICS | SANOFI-SYNTHELABO (FR) | 2002-08-13 | — | — | US | disclosed |
| US-6313120-B1 | TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS | SANOFI-SYNTHELABO (FR) | 2001-11-06 | — | — | US | disclosed |
| US-6100278-A | COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS | SANOFI-SYNTHELABO (FR) | 2000-08-08 | — | — | US | disclosed |
| US-6015812-A | N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity | SANOFI-SYNTHELABO (FR) | 2000-01-18 | — | — | 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 (6 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-20120259113-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | PTGS1 1070/4885DPP4 39/4885EPHX1 1562/4885 |
| US-20110009409-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | PTGS1 1070/4885DPP4 39/4885EPHX1 1562/4885 |
| US-20020115685-A1 | Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them | CYP2C9, ADRM1, ADRA1D | PTGS1 931/4885DPP4 1159/4885EPHX1 1439/4885 |
| US-20130245041-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | PTGS1 1070/4885DPP4 39/4885EPHX1 1562/4885 |
| US-20030073641-A1 | Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them | CYP2C9, ADRM1, ADRA1D | PTGS1 931/4885DPP4 1159/4885EPHX1 1439/4885 |
| US-20110275634-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, REN, AGTR2 | PTGS1 980/4885DPP4 42/4885EPHX1 1514/4885 |
“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.