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 | |
|---|---|---|---|---|
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.42 |
| ▸ | PARP1 known ✓ | P09874 | 3/20 | 0.41 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.39 |
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.39 |
| ▸ | DRD4 known ✓ | P21917 | 2/20 | 0.39 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.38 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.37 |
| ▸ | HTR7 known ✓ | P34969 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.42 |
| ▸ | OGA | O60502 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6371315 | 0.99 | KDM4E (0.46) | KDM4EALDH1A1CDC7ROCK1DBF4 | |
| Hydrochloric Acid SCHEMBL2673933 | 0.87 | MEN1 (0.46) | KDM4EALDH1A1PARP1HTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL2674131 | 0.86 | OPRK1 (0.38) | KDM4EALDH1A1CDC7ROCK1DBF4 | |
| SCHEMBL6372506 | 0.86 | MEN1 (0.46) | KDM4EALDH1A1PARP1HTTSMN1; SMN2 | |
| SCHEMBL6372169 | 0.85 | OPRK1 (0.38) | KDM4EALDH1A1CDC7ROCK1DBF4 | |
| Hydrochloric Acid SCHEMBL2674323 | 0.85 | CDC7 (0.38) | KDM4EALDH1A1CDC7ROCK1DBF4 | |
| Hydrochloric Acid SCHEMBL2674615 | 0.84 | KDM4E (0.39) | KDM4EALDH1A1CDC7ROCK1DBF4 | |
| Hydrochloric Acid SCHEMBL2674723 | 0.83 | OPRK1 (0.38) | ALDH1A1CDC7ROCK1DBF4PARP1 | |
| SCHEMBL6372062 | 0.83 | CCNC (0.39) | KDM4EALDH1A1CDC7ROCK1DBF4 | |
| SCHEMBL6372810 | 0.83 | CDC7 (0.44) | CDC7ROCK1DBF4PARP1OPRK1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732896-B1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMA INC (US) | 2012-12-12 | — | — | EP | claimed |
| US-20120202795-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2012-08-09 | — | — | US | claimed |
| CN-1960975-A | Substituted pyridones as poly (ADP-ribose) polymerase (PARP) inhibitors | AVENTIS PHARMA INC (US) | 2007-05-09 | — | — | CN | claimed |
| US-20070032489-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2007-02-08 | — | — | US | claimed |
| EP-1732896-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | Aventis Pharmaceuticals Inc. (US) | 2006-12-20 | — | — | EP | claimed |
| WO-2005097750-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2005-10-20 | — | — | WO | claimed |
| EP-1732896-B1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMA INC (US) | 2012-12-12 | — | — | EP | disclosed |
| US-20120202795-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2012-08-09 | — | — | US | disclosed |
| US-8173682-B2 | Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2012-05-08 | — | — | US | disclosed |
| CN-1960975-A | Substituted pyridones as poly (ADP-ribose) polymerase (PARP) inhibitors | AVENTIS PHARMA INC (US) | 2007-05-09 | — | — | CN | disclosed |
| US-20070032489-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2007-02-08 | — | — | US | disclosed |
| EP-1732896-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | Aventis Pharmaceuticals Inc. (US) | 2006-12-20 | — | — | EP | disclosed |
| EP-1186612-B1 | PROCESS FOR THE PREPARATION OF CYTIDINE DERIVATIVES | MITSUI CHEMICALS INC (JP) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005097750-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2005-10-20 | — | — | WO | disclosed |
| US-6822090-B2 | GENERATION OF PREFERENTIAL URIDINE DERIVATIVE; OBTAIN REACTION MIXTURE, EXPOSE TO TERTIARY AMINE, DEHYDRATING REACTANT AND AMMONIA, RECOVER CYTIDINE DERIVATIVE | MITSUI CHEMICALS, INC. (JP) | 2004-11-23 | — | — | US | disclosed |
| US-20030032797-A1 | Process for the preparation of cytidine derivatives | MITSUI CHEMICALS, INC. (JP) | 2003-02-13 | — | — | US | disclosed |
| EP-1186612-A1 | PROCESS FOR THE PREPARATION OF CYTIDINE DERIVATIVES | Mitsui Chemicals, Inc. (JP) | 2002-03-13 | — | — | EP | 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-20120202795-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | PARP1, PARP2, PARP3 | ROCK1 963/4885PARP1 1/4885OPRK1 1172/4885 |
| US-20030032797-A1 | Process for the preparation of cytidine derivatives | CDA, DCTD, APOBEC3A | ROCK1 3824/4885PARP1 105/4885OPRK1 3584/4885 |
| US-20070032489-A1 | SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) | PARP1, PARP2, PARP3 | ROCK1 963/4885PARP1 1/4885OPRK1 1172/4885 |
“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.