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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 8/20 | 0.48 |
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16702639 | 0.97 | SIGMAR1 (0.52) | SIGMAR1KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL1794834 | 0.97 | — | — | |
| SCHEMBL1797463 | 0.94 | SIGMAR1 (0.54) | SIGMAR1KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL25333580 | 0.94 | SIGMAR1 (0.54) | SIGMAR1KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL23736060 | 0.94 | SIGMAR1 (0.54) | SIGMAR1KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL27778888 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27988385 | 0.88 | — | — | |
| Sulfuric Acid SCHEMBL11559298 | 0.85 | KDM4E (0.43) | SIGMAR1KDM4EGRIN2DGRIN3BGRIN1 | |
| SCHEMBL1797777 | 0.84 | — | — | |
| Sulfuric Acid SCHEMBL11557898 | 0.83 | SIGMAR1 (0.45) | SIGMAR1KDM4EGRIN2DGRIN3BGRIN1 |
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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1931677-B1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-04-20 | — | — | EP | disclosed |
| US-8673924-B2 | Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-03-18 | — | — | US | disclosed |
| EP-2194058-B1 | Pyrazolopyrimidines suitable for the treatment of cancer diseases | MERCK SHARP & DOHME (US) | 2013-11-27 | — | — | EP | disclosed |
| US-8586576-B2 | Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-11-19 | — | — | US | disclosed |
| US-8580782-B2 | Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-11-12 | — | — | US | disclosed |
| EP-1720882-B1 | PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORP (US) | 2011-01-05 | — | — | EP | disclosed |
| US-7807683-B2 | N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors | SCHERING CORPORATION (US) | 2010-10-05 | — | — | US | disclosed |
| EP-2194058-A1 | Pyrazolopyrimidines suitable for the treatment of cancer diseases | SCHERING CORPORATION (US) | 2010-06-09 | — | — | EP | disclosed |
| EP-1537116-B1 | PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES | SCHERING CORP (US) | 2010-06-02 | — | — | EP | disclosed |
| WO-2008130569-A1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2008-10-30 | — | — | WO | disclosed |
| WO-2003076441-A1 | PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM CORPORATION (US) | 2003-09-18 | — | — | WO | disclosed |
| WO-2003050120-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-06-19 | — | — | WO | disclosed |
| WO-2003022845-A1 | PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-03-20 | — | — | WO | disclosed |
| WO-2003000689-A1 | IMIDAZO`1,2-A!PYRIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF HERPES VIRAL INFECTIONS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-01-03 | — | — | WO | disclosed |
| WO-2002088124-A2 | PYRAZOLO'1,5-A!PYRIDINE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2002-11-07 | — | — | WO | disclosed |
| WO-2002083672-A1 | ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-10-24 | — | — | WO | disclosed |
| WO-2002078700-A1 | PYRALOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPTEUTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-10-10 | — | — | WO | disclosed |
| WO-2002078701-A1 | USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-10-10 | — | — | WO | disclosed |
| WO-2002072581-A2 | PYRAZOLOPYRIADINE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2002-09-19 | — | — | WO | disclosed |
| WO-2002048148-A2 | PYRAZOLOPYRIDINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2002-06-20 | — | — | WO | disclosed |