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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.33 |
| ▸ | KCNQ3 known ✓ | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 known ✓ | O43526 | 1/20 | 0.33 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | WRN | Q14191 | 1/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7230699 | 0.98 | GRM4 (0.46) | GRM4ABCG2BLMWRNTRPV4 | |
| Hydrochloric Acid SCHEMBL1765566 | 0.98 | GRM4 (0.46) | GRM4ABCG2BLMWRNTRPV4 | |
| SCHEMBL897882 | 0.96 | GRM4 (0.47) | GRM4ABCG2BLMWRNTRPV4 | |
| Hydrochloric Acid SCHEMBL3829463 | 0.93 | GRM4 (0.48) | GRM4ABCG2BLMWRNTRPV4 | |
| Hydrochloric Acid SCHEMBL7475755 | 0.93 | GRM4 (0.48) | GRM4ABCG2BLMWRNTRPV4 | |
| SCHEMBL3829465 | 0.89 | GRM4 (0.46) | GRM4ABCG2BLMWRNTRPV4 | |
| Hydrochloric Acid SCHEMBL5057770 | 0.83 | TRPV4 (0.50) | TRPV4PGRIDO1KCNQ3KCNQ2 | |
| SCHEMBL3623834 | 0.81 | TRPV4 (0.52) | TRPV4PGRIDO1KCNQ3KCNQ2 | |
| SCHEMBL28296270 | 0.79 | TRPV4 (0.50) | TRPV4PGRIDO1KCNQ3KCNQ2 | |
| SCHEMBL3173181 | 0.79 | GRM4 (0.48) | GRM4ABCG2BLMWRNTRPV4 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946508-B1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2009-09-23 | — | — | EP | disclosed |
| US-7235575-B2 | Guanidine mimics as factor Xa inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2007-06-26 | — | — | US | disclosed |
| US-20060040973-A1 | 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders | LAM PATRICK Y | 2006-02-23 | — | — | US | disclosed |
| EP-1460996-A4 | NOVEL-N-4-(1H-IMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1-H-PYRAZOLE-5-CARBOXAMIDES AS FACTOR XA | BRISTOL MYERS SQUIBB CO (US) | 2005-11-16 | — | — | EP | disclosed |
| US-6965036-B2 | Intermediates for guanidine mimics as factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2005-11-15 | — | — | US | disclosed |
| US-6958356-B2 | Guanidine mimics factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-10-25 | — | — | US | disclosed |
| EP-0991638-B1 | NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2005-08-17 | — | — | EP | disclosed |
| US-6906070-B2 | Anticoagulants | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-06-14 | — | — | US | disclosed |
| EP-1460996-A2 | NOVEL-N-4-(1H-IMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1-H-PYRAZOLE-5-CARBOXAMIDES AS FACTOR XA | Bristol-Myers Squibb Company (US) | 2004-09-29 | — | — | EP | disclosed |
| US-6730689-B2 | HETEROCYCLIC AMIDES SUCH AS N-(4-(2-(((METHYL)AMINO)METHYL)-1H-IMIDAZOL-1-YL)-2-FLUOROPHENYL)-1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, USED AS ANTICOAGULANTS; PROPHYLAXIS OF CARDIOVASCULAR DISORDERS | BRISTOL-MYERS SQUIBB COMPANY | 2004-05-04 | — | — | US | disclosed |
| WO-2003047517-A2 | NOVEL-N-[4-(1H-IMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1-H-PYRAZOLE-5-CARBOXAMIDES AS FACTOR XA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-06-12 | — | — | WO | disclosed |
| US-6548512-B1 | Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-04-15 | — | — | US | disclosed |
| US-20030069258-A1 | Novel guanidine mimics factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-04-10 | — | — | US | disclosed |
| US-20020025963-A1 | Novel guanidine mimics as factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-02-28 | — | — | US | disclosed |
| US-6339099-B1 | FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER | DUPONT PHARMACEUTICALS COMPANY | 2002-01-15 | — | — | US | disclosed |
| EP-0991638-A1 | NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-04-12 | — | — | EP | disclosed |
| US-6020357-A | CARDIOVASCULAR DISORDERS; ANTCOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-02-01 | — | — | US | disclosed |
| EP-0946508-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998057951-A1 | NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |
| WO-1998028269-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | 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-20060040973-A1 | 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders | SERPINC1, F7, SERPINE1 | KCNH2 478/4885KCNQ3 1118/4885KCNQ2 975/4885 |
| US-20030069258-A1 | Novel guanidine mimics factor Xa inhibitors | TFPI, F11, F12 | KCNH2 989/4885KCNQ3 2554/4885KCNQ2 1848/4885 |
| US-20020025963-A1 | Novel guanidine mimics as factor Xa inhibitors | F11, SERPINC1, TFPI | KCNH2 1320/4885KCNQ3 2881/4885KCNQ2 2141/4885 |
“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.