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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 4/20 | 0.44 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL915018 | 0.98 | GAA (0.45) | GAATSHRNOS1MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL27776511 | 0.74 | TSHR (0.53) | GAATSHRMAPTKDM4EALDH1A1 | |
| SCHEMBL74877 | 0.74 | TSHR (0.57) | GAATSHRMAPTKDM4EALDH1A1 | |
| SCHEMBL1713222 | 0.74 | TSHR (0.57) | GAATSHRMAPTKDM4EALDH1A1 | |
| SCHEMBL11072823 | 0.72 | TSHR (0.55) | GAATSHRMAPTKDM4EALDH1A1 | |
| SCHEMBL158497 | 0.72 | TSHR (0.55) | GAATSHRMAPTKDM4EALDH1A1 | |
| SCHEMBL10985089 | 0.71 | ALDH1A1 (0.72) | GAATSHRMAPTKDM4EALDH1A1 | |
| SCHEMBL1684895 | 0.71 | — | — | |
| SCHEMBL12994041 | 0.71 | TSHR (0.53) | GAATSHRMAPTKDM4EALDH1A1 | |
| SCHEMBL18422337 | 0.70 | ALDH1A1 (0.39) | GAATSHRMAPTKDM4EALDH1A1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9073914-B2 | Substituted alkyl pyrimidin-4-one derivatives | SANOFI (FR) | 2015-07-07 | — | — | US | disclosed |
| EP-2321315-B1 | SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES | MITSUBISHI TANABE PHARMA CORP (JP) | 2015-06-03 | — | — | EP | disclosed |
| EP-2238141-B1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | SANOFI SA (FR) | 2015-01-14 | — | — | EP | disclosed |
| US-8507475-B2 | Substituted heteroarylamide diazepinopyrimidone derivatives | SANOFI (FR) | 2013-08-13 | — | — | US | disclosed |
| US-8507476-B2 | Substituted arylamide diazepinopyrimidone derivatives | SANOFI (FR) | 2013-08-13 | — | — | US | disclosed |
| EP-2238140-B1 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI SA (FR) | 2013-07-17 | — | — | EP | disclosed |
| US-20110144092-A1 | SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-06-16 | — | — | US | disclosed |
| EP-2321315-A2 | SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES | Mitsubishi Tanabe Pharma Corporation (JP) | 2011-05-18 | — | — | EP | disclosed |
| US-20110039835-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-02-17 | — | — | US | disclosed |
| US-20110015187-A1 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-01-20 | — | — | US | disclosed |
| EP-2238141-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| EP-2238140-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| EP-2138494-A1 | Substituted alkyl pyrimidin-4-one derivatives | Sanofi-Aventis (FR) | 2009-12-30 | — | — | EP | disclosed |
| WO-2009156864-A2 | SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-12-30 | — | — | WO | disclosed |
| EP-2090579-A1 | Substituted heteroarylamide diazepinopyrimidone derivatives | Sanofi-Aventis (FR) | 2009-08-19 | — | — | EP | disclosed |
| EP-2090578-A1 | Substituted arylamide diazepinopyrimidone derivatives for the treatment of neurodegenerative diseases caused by abnormal activity of GSK3-beta | Sanofi-Aventis (FR) | 2009-08-19 | — | — | EP | disclosed |
| WO-2009095792-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |
| WO-2009095789-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | 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-20110015187-A1 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | WEE1, CBR1, WEE2 | GAA 2348/4885ABL1 1679/4885TSHR 1475/4885 |
| US-20110039835-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | CBR1, QDPR, HRH1 | GAA 1790/4885ABL1 1091/4885TSHR 802/4885 |
| US-20110144092-A1 | SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES | DPYD, TYMP, DHFR | GAA 2226/4885ABL1 20/4885TSHR 780/4885 |
“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.