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.
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 | |
|---|---|---|---|---|
| SCHEMBL479051 | 0.97 | — | — | |
| SCHEMBL5383270 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL22575437 | 0.78 | — | — | |
| SCHEMBL11507423 | 0.77 | — | — | |
| SCHEMBL8816894 | 0.75 | — | — | |
| SCHEMBL13660465 | 0.75 | — | — | |
| SCHEMBL4155536 | 0.75 | — | — | |
| SCHEMBL28879368 | 0.73 | CYP2C19 (0.36) | — | |
| Hydrochloric Acid SCHEMBL21590308 | 0.72 | — | — | |
| SCHEMBL14980229 | 0.72 | SIGMAR1 (0.38) | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103030788-A | Conjugated polymer gelling agent poly(phenylene ethynylene) and preparation method thereof | UNIV NANJING POSTS & TELECOMM | 2013-04-10 | — | — | CN | claimed |
| CN-101314634-A | Polygonal line type water-soluble aryleneethynylene, preparation and application thereof | UNIV NANJING POSTS & TELECOMM (CN) | 2008-12-03 | — | — | CN | claimed |
| CN-102812014-B | The purposes of novel 9 oxime derivate and the allosteric modulators as metabotropic glutamate receptor thereof | DOMAIN THERAPEUTICS (FR) | 2016-01-20 | — | — | CN | disclosed |
| US-20160009752-A1 | PREGNANE-OXIMINO-AMINOALKYLETHERS AND PROCESS FOR PREPARATION THEREOF, USEFUL AS ANTIDIABETIC AND ANTIDYSLIPIDEMIC AGENTS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-01-14 | — | — | US | disclosed |
| CN-103121972-B | As the pyrimidine urea derivatives of kinase inhibitor | NOVARTIS AG (CH) | 2015-07-29 | — | — | CN | disclosed |
| US-8962627-B2 | Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors | PRESTWICK CHEMICAL, INC. (FR) | 2015-02-24 | — | — | US | disclosed |
| EP-2493871-B1 | NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | DOMAIN THERAPEUTICS (FR) | 2014-09-03 | — | — | EP | disclosed |
| WO-2014115170-A1 | PREGNANE-OXIMINO-AMINOALKYLETHERS AND PROCESS FOR PREPARATION THEREOF, USEFUL AS ANTIDIABETIC AND ANTIDYSLIPIDEMIC AGENTS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2014-07-31 | — | — | WO | disclosed |
| EP-2418205-B1 | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| US-8552002-B2 | 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-(2,6-dimethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-1-methyl-urea; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea | NOVARTIS AG (CH) | 2013-10-08 | — | — | US | disclosed |
| EP-2409969-B1 | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG (CH) | 2013-07-24 | — | — | EP | disclosed |
| WO-2011051478-A1 | NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | DOMAIN THERAPEUTICS (FR) | 2011-05-05 | — | — | WO | disclosed |
| EP-1186594-B1 | N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME | TOYAMA CHEMICAL CO LTD (JP) | 2009-08-05 | — | — | EP | disclosed |
| US-20090137804-A1 | Compounds and Compositions as Protein Kinase Inhibitors | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2009-05-28 | — | — | US | disclosed |
| CN-101314634-A | Polygonal line type water-soluble aryleneethynylene, preparation and application thereof | UNIV NANJING POSTS & TELECOMM (CN) | 2008-12-03 | — | — | CN | disclosed |
| CN-101035769-A | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG (CH) | 2007-09-12 | — | — | CN | disclosed |
| EP-1761505-A1 | PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS | Novartis AG (CH) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006000420-A1 | PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2006-01-05 | — | — | WO | disclosed |
| US-6797726-B1 | N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same | TOYAMA CHEMICAL CO., LTD. (JP) | 2004-09-28 | — | — | US | disclosed |
| EP-1186594-A1 | N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME | TOYAMA CHEMICAL CO., LTD. (JP) | 2002-03-13 | — | — | EP | disclosed |