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 | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 5/20 | 0.48 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 2/20 | 0.56 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.47 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.47 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2034385 | 0.98 | PNMT (0.57) | PNMTDPP4DPP8DPP9DPP7 | |
| SCHEMBL29478402 | 0.98 | PNMT (0.57) | PNMTDPP4DPP8DPP9DPP7 | |
| SCHEMBL289104 | 0.98 | PNMT (0.57) | PNMTDPP4DPP8DPP9DPP7 | |
| SCHEMBL1256346 | 0.98 | PNMT (0.57) | PNMTDPP4DPP8DPP9DPP7 | |
| SCHEMBL29486917 | 0.98 | PNMT (0.57) | PNMTDPP4DPP8DPP9DPP7 | |
| SCHEMBL29478393 | 0.98 | PNMT (0.57) | PNMTDPP4DPP8DPP9DPP7 | |
| SCHEMBL14282773 | 0.84 | PNMT (0.60) | PNMTDPP4DPP8DPP9DPP7 | |
| Hydrochloric Acid SCHEMBL1912565 | 0.84 | MMEL1 (0.60) | FFAR1 | |
| Hydrochloric Acid SCHEMBL1912620 | 0.84 | MMEL1 (0.60) | FFAR1 | |
| SCHEMBL288694 | 0.83 | PNMT (0.54) | PNMTDPP4ANPEPENPEPCTBP2 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9273008-B2 | Dual-acting imidazole antihypertensive agents | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2016-03-01 | — | — | US | disclosed |
| US-9150514-B2 | Dual-acting antihypertensive agents | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-10-06 | — | — | US | disclosed |
| US-20150191435-A1 | DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-07-09 | — | — | US | disclosed |
| US-9012485-B2 | Dual-acting imidazole antihypertensive agents | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-04-21 | — | — | US | disclosed |
| US-20150065543-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-03-05 | — | — | US | disclosed |
| EP-2146963-B1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R & D IP LLC (US) | 2014-12-17 | — | — | EP | disclosed |
| US-8895755-B2 | Intermediates for preparing dual-acting benzyl triazole antihypertensive agents having angiotensin II type I receptor antagonist activity and neprilysin-inhibition activity | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-11-25 | — | — | US | disclosed |
| US-20140303222-A1 | DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-10-09 | — | — | US | disclosed |
| US-8664254-B2 | Dual-acting imidazole antihypertensive agents | THERAVANCE, INC. (US) | 2014-03-04 | — | — | US | disclosed |
| US-20140024835-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2014-01-23 | — | — | US | disclosed |
| US-20120264752-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2012-10-18 | — | — | US | disclosed |
| US-8236846-B2 | Dual-acting antihypertensive agents | THERAVANCE, INC. (US) | 2012-08-07 | — | — | US | disclosed |
| US-20120165381-A1 | DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2012-06-28 | — | — | US | disclosed |
| US-8158659-B2 | Dual-acting imidazole antihypertensive agents | THERAVANCE, INC. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20110281925-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2011-11-17 | — | — | US | disclosed |
| US-8013005-B2 | Dual-acting antihypertensive agents | THERAVANCE, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| US-20110092551-A1 | DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2011-04-21 | — | — | US | disclosed |
| US-7879896-B2 | Dual-acting imidazole antihypertensive agents | THERAVANCE, INC. (US) | 2011-02-01 | — | — | US | disclosed |
| US-20090023228-A1 | Dual-acting Imidazole antihypertensive agents | THERAVANCE, INC. | 2009-01-22 | — | — | US | disclosed |
| US-20080269305-A1 | R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure | THERAVANCE, INC. | 2008-10-30 | — | — | 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 (10 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-20110092551-A1 | DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | DPP4 313/4885HTR3E 106/4885HTR3B 93/4885 |
| US-20080269305-A1 | R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure | AGTR2, REN, AGTR1 | DPP4 143/4885HTR3E 290/4885HTR3B 312/4885 |
| US-20110281925-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | DPP4 199/4885HTR3E 138/4885HTR3B 115/4885 |
| US-20150191435-A1 | DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | DPP4 313/4885HTR3E 106/4885HTR3B 93/4885 |
| US-20140303222-A1 | DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | DPP4 313/4885HTR3E 106/4885HTR3B 93/4885 |
| US-20150065543-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | DPP4 199/4885HTR3E 138/4885HTR3B 115/4885 |
| US-20090023228-A1 | Dual-acting Imidazole antihypertensive agents | AGTR1, AGTR2, REN | DPP4 305/4885HTR3E 104/4885HTR3B 91/4885 |
| US-20120165381-A1 | DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | DPP4 313/4885HTR3E 106/4885HTR3B 93/4885 |
| US-20120264752-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | DPP4 199/4885HTR3E 138/4885HTR3B 115/4885 |
| US-20140024835-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | AGTR1, AGTR2, REN | DPP4 199/4885HTR3E 138/4885HTR3B 115/4885 |
“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.