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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.56 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.49 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.45 |
| ▸ | HSD11B1 known ✓ | P28845 | 3/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.43 |
| ▸ | HDAC4 known ✓ | P56524 | 2/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL476403 | 0.98 | OPRM1 (0.58) | OPRM1HDAC1AKR1C1TACR1OPRL1 | |
| Trifluoroacetic Acid SCHEMBL16413809 | 0.89 | OPRM1 (0.50) | OPRM1HDAC1AKR1C1TACR1OPRL1 | |
| Hydrochloric Acid SCHEMBL1804765 | 0.87 | AKR1C1 (0.55) | OPRM1HDAC1AKR1C1OPRL1HSD11B1 | |
| Hydrochloric Acid SCHEMBL18281540 | 0.85 | AKR1C1 (0.66) | OPRM1HDAC1AKR1C1TACR1HSD11B1 | |
| Hydrochloric Acid SCHEMBL2552731 | 0.85 | AKR1C1 (0.66) | OPRM1HDAC1AKR1C1TACR1HSD11B1 | |
| SCHEMBL6632931 | 0.85 | SIGMAR1 (0.56) | OPRM1HDAC1TACR1OPRL1HSD11B1 | |
| SCHEMBL2722547 | 0.85 | AKR1C1 (0.57) | OPRM1HDAC1AKR1C1OPRL1HSD11B1 | |
| SCHEMBL501923 | 0.85 | AKR1C1 (0.57) | OPRM1HDAC1AKR1C1OPRL1HSD11B1 | |
| SCHEMBL373567 | 0.83 | AKR1C1 (0.68) | OPRM1HDAC1AKR1C1TACR1HSD11B1 | |
| Hydrochloric Acid SCHEMBL8350118 | 0.83 | OPRM1 (0.47) | OPRM1HSD11B1 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8486971-B2 | Derivatives of 3-alkoxy-4,5-diarylthiophene-2-carboxamide, preparation thereof, and therapeutic use thereof | SANOFI (FR) | 2013-07-16 | — | — | US | disclosed |
| US-8410137-B2 | Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof | SANOFI (FR) | 2013-04-02 | — | — | US | disclosed |
| US-8383666-B2 | Pyrrole derivatives, preparation of same and therapeutic application thereof | SANOFI (FR) | 2013-02-26 | — | — | US | disclosed |
| US-20120115906-A1 | DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-05-10 | — | — | US | disclosed |
| US-20110183960-A1 | THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2011-07-28 | — | — | US | disclosed |
| US-20110144157-A1 | PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF | SANOFI-AVENTIS (FR) | 2011-06-16 | — | — | US | disclosed |
| CN-1142932-C | N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide | ������������ʽ���� | 2004-03-24 | — | — | CN | disclosed |
| CN-1119344-C | Heterocyclic substed. pyrrolidine amide derivs. | AVENTIS PHARMA INC (US) | 2003-08-27 | — | — | CN | disclosed |
| US-6448247-B1 | TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) | SANKYO COMPANY, LIMITED (JP) | 2002-09-10 | — | — | US | disclosed |
| CN-1081635-C | Substituted pyrrolidin-3-Yl-alkyl-piperidines useful as tachykinin antagonists | MERRELL DOW PHARMA (US) | 2002-03-27 | — | — | CN | disclosed |
| WO-1998027086-A1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1998-06-25 | — | — | WO | disclosed |
| EP-0696280-B1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL PHARMA INC (US) | 1997-09-24 | — | — | EP | disclosed |
| US-5661160-A | ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-26 | — | — | US | disclosed |
| CN-1157286-A | N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide | SANKYO CO (JP) | 1997-08-20 | — | — | CN | disclosed |
| US-5648366-A | TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1997-07-15 | — | — | US | disclosed |
| EP-0776893-A1 | Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 | SANKYO COMPANY LIMITED (JP) | 1997-06-04 | — | — | EP | disclosed |
| US-5635510-A | TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-06-03 | — | — | US | disclosed |
| CN-1124961-A | Substituted pyrrolidin-3-Yl-alkyl-piperidines useful as tachykinin antagonists | MERRELL DOW PHARMA (US) | 1996-06-19 | — | — | CN | disclosed |
| EP-0696280-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMA (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994026735-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | 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 (3 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-20110144157-A1 | PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF | ARG2, PYCR1, ARG1 | OPRM1 1715/4885HDAC1 3177/4885TACR1 63/4885 |
| US-20120115906-A1 | DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | HRH4, HCRTR1, NR3C1 | OPRM1 101/4885HDAC1 735/4885TACR1 78/4885 |
| US-20110183960-A1 | THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | NR3C2, NR1H3, NR1H2 | OPRM1 111/4885HDAC1 707/4885TACR1 205/4885 |
“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.