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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.43 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.43 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.43 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.61 |
| ▸ | CTSD | P07339 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL2176841 | 0.97 | — | — | |
| Hydrazobenzene SCHEMBL28199819 | 0.81 | ALDH1A1 (0.92) | ALDH1A1TDP1CTSDHSD17B10TSHR | |
| Hydrazobenzene SCHEMBL51179 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1CTSDHSD17B10TSHR | |
| SCHEMBL19737269 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1CTSDHSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL22263479 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4371751 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TDP1ALOX12MAPK1MAPT | |
| SCHEMBL21764766 | 0.74 | ALDH1A1 (0.79) | ALDH1A1TDP1CTSDHSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL1408626 | 0.72 | MEN1 (0.47) | ALDH1A1TSHRMAPTIDO1MEN1 | |
| Hydrochloric Acid SCHEMBL1584025 | 0.72 | IDO1 (0.43) | ALDH1A1TDP1L3MBTL1MAPK1MAPT | |
| Hydrochloric Acid SCHEMBL1395041 | 0.72 | MAPT (0.50) | ALDH1A1TDP1PTGS2ALOX12MAPT |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2826772-A1 | Intermediates for the synthesis of oxygen-substituted 3-heteroaroylamino-propionic acid derivatives | SANOFI (FR) | 2015-01-21 | — | — | EP | disclosed |
| EP-2528902-B1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI SA (FR) | 2014-11-12 | — | — | EP | disclosed |
| US-20140128616-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2014-05-08 | — | — | US | disclosed |
| US-8664257-B2 | Oxygen-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals | SANOFI (FR) | 2014-03-04 | — | — | US | disclosed |
| EP-1924563-B1 | 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 | HOFFMANN LA ROCHE (CH) | 2013-07-31 | — | — | EP | disclosed |
| US-20130046004-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2013-02-21 | — | — | US | disclosed |
| EP-2528902-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2012-12-05 | — | — | EP | disclosed |
| US-8309552-B2 | Immunomodulating heterocyclic compounds | MEDIGENE AG (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20120184561-A1 | PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS | NOVARTIS AG (CH) | 2012-07-19 | — | — | US | disclosed |
| CN-101253155-B | 11-beta-hydroxysteroid dehydrogenase-1-inhibitor-diabetes-type 2-1 | HOFFMANN LA ROCHE | 2011-11-09 | — | — | CN | disclosed |
| US-20080014189-A1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-17 | — | — | US | disclosed |
| EP-1874770-A1 | PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS | Novartis Pharma AG (CH) | 2008-01-09 | — | — | EP | disclosed |
| US-7279469-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-09 | — | — | US | disclosed |
| US-7276505-B2 | Immunomodulating heterocyclic compounds | MEDIGENE LIMITED (GB) | 2007-10-02 | — | — | US | disclosed |
| US-20070049632-A1 | Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase | BANNER BRUCE L | 2007-03-01 | — | — | US | disclosed |
| US-20070021428-A1 | Immunomodulating heterocyclic compounds | AVIDEX LIMITED (GB) | 2007-01-25 | — | — | US | disclosed |
| WO-2006108640-A1 | PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS | NOVARTIS AG (CH) | 2006-10-19 | — | — | WO | disclosed |
| EP-1562589-A2 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2005-08-17 | — | — | EP | disclosed |
| US-20040214817-A1 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2004-10-28 | — | — | US | disclosed |
| WO-2004046120-A2 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-06-03 | — | — | 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 (7 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-20070049632-A1 | Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase | HSD17B1, HSD17B2, HSD3B2 | PTGS2 789/4885PTGS1 785/4885SLC6A2 2939/4885 |
| US-20120184561-A1 | PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS | MAP3K10, MAP3K20, MAP3K9 | PTGS2 1719/4885PTGS1 1373/4885SLC6A2 4182/4885 |
| US-20080014189-A1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K5 | PTGS2 1728/4885PTGS1 1618/4885SLC6A2 3431/4885 |
| US-20130046004-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | CTSF, CTSS, CTSE | PTGS2 577/4885PTGS1 287/4885SLC6A2 4675/4885 |
| US-20040214817-A1 | Diaminotriazoles useful as inhibitors of protein kinases | MAP3K20, MAP3K1, MAP3K5 | PTGS2 1728/4885PTGS1 1618/4885SLC6A2 3431/4885 |
| US-20070021428-A1 | Immunomodulating heterocyclic compounds | CD40, CD40LG, NGFR | PTGS2 2938/4885PTGS1 1942/4885SLC6A2 2354/4885 |
| US-20140128616-A1 | OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | CTSF, CTSS, CTSE | PTGS2 577/4885PTGS1 287/4885SLC6A2 4675/4885 |
“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.