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 | |
|---|---|---|---|---|
| SCHEMBL3066706 | 0.98 | — | — | |
| SCHEMBL31209094 | 0.86 | HTR6 (0.38) | — | |
| SCHEMBL31209398 | 0.86 | HTR6 (0.38) | — | |
| SCHEMBL29904690 | 0.84 | L3MBTL3 (0.33) | — | |
| SCHEMBL29904650 | 0.81 | L3MBTL3 (0.34) | — | |
| SCHEMBL3959008 | 0.79 | L3MBTL3 (0.41) | — | |
| SCHEMBL26823966 | 0.78 | L3MBTL3 (0.34) | — | |
| SCHEMBL24172513 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1721103 | 0.74 | TDP1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1030368 | 0.74 | TDP1 (0.32) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1889836-B1 | NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) | EISAI R&D MAN CO LTD (JP) | 2013-06-12 | — | — | EP | disclosed |
| US-8288538-B2 | Pyridine derivatives and pyrimidine derivatives (3) | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-10-16 | — | — | US | disclosed |
| EP-1719762-B1 | NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) | EISAI R&D MAN CO LTD (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-7855290-B2 | N-[4-({2-[({4-[2-(Dimethylamino)ethyl]piperazin-1-yl}carbonyl)amino]pyridin-4-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; hepatocyte growth factor receptor (HGFR) inhibitors; antitumor, -carcinogenic, -metastasis agents | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-12-21 | — | — | US | disclosed |
| US-20100075944-A1 | NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) | MATSUSHIMA TOMOHIRO | 2010-03-25 | — | — | US | disclosed |
| US-7531532-B2 | Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-05-12 | — | — | US | disclosed |
| US-20080319188-A1 | Novel pyridine derivatives and pyrimidine derivatives (3) | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2008-12-25 | — | — | US | disclosed |
| EP-1889836-A1 | NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) | Eisai R&D Management Co., Ltd. (JP) | 2008-02-20 | — | — | EP | disclosed |
| US-20070270421-A1 | Novel pyridine Derivative and Pyrimidine Derivative (1) | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-11-22 | — | — | US | disclosed |
| EP-1719763-A1 | NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) | Eisai Co., Ltd. (JP) | 2006-11-08 | — | — | EP | disclosed |
| EP-1719762-A1 | NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) | Eisai Co., Ltd. (JP) | 2006-11-08 | — | — | EP | disclosed |
| US-20050277652-A1 | Novel pyridine derivative and pyrimidine derivative | EISAI CO., LTD. (JP) | 2005-12-15 | — | — | US | disclosed |