Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| Water SCHEMBL29273203 | 0.89 | — | — | |
| Water SCHEMBL27952249 | 0.89 | — | — | |
| SCHEMBL7049 | 0.87 | — | — | |
| SCHEMBL1981564 | 0.75 | — | — | |
| SCHEMBL2883380 | 0.75 | — | — | |
| SCHEMBL25413839 | 0.75 | — | — | |
| Fluoride SCHEMBL2801517 | 0.75 | — | — | |
| SCHEMBL21829059 | 0.75 | — | — | |
| Phosphine SCHEMBL20819245 | 0.75 | — | — | |
| SCHEMBL13519402 | 0.75 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023033172-A1 | CATALYST FOR HYDROTREATMENT OF HEAVY HYDROCARBON OIL AND METHOD FOR PRODUCING SAME, AND METHOD FOR HYDROTREATMENT OF HEAVY HYDROCARBON OIL | 日揮触媒化成株式会社 | 2023-03-09 | — | — | WO | claimed |
| US-20050106469-A1 | Metal oxide hydrate, a phyllosilicate, hygroscopic inorganic porous compound; a polyarylene having a sulfonic group; excellent proton conductivity; membrane | JSR CORPORATION | 2005-05-19 | — | — | US | claimed |
| JP-8310865-A | — | — | None | — | — | JP | disclosed |
| WO-2023033172-A1 | CATALYST FOR HYDROTREATMENT OF HEAVY HYDROCARBON OIL AND METHOD FOR PRODUCING SAME, AND METHOD FOR HYDROTREATMENT OF HEAVY HYDROCARBON OIL | 日揮触媒化成株式会社 | 2023-03-09 | — | — | WO | disclosed |
| CN-105102123-B | Hydrotreating catalyst carrier, its manufacture method, hydrotreating catalyst and its manufacture method | 日挥触媒化成株式会社 | 2018-04-03 | — | — | CN | disclosed |
| CN-106082156-A | One is prepared Li by ferrophosphorusxfeypzo4method | 四川大学 | 2016-11-09 | — | — | CN | disclosed |
| CN-105102123-A | Carrier for hydrogenation catalysts, method for producing same, hydrogenation catalyst and method for producing hydrogenation catalyst | JGC CATALYSTS & CHEMICALS LTD | 2015-11-25 | — | — | CN | disclosed |
| US-20100266926-A1 | FUEL CELL ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY, AND FUEL CELL | HITACHI, LTD. (JP) | 2010-10-21 | — | — | US | disclosed |
| US-20070087256-A1 | Fuel cell | HITACHI, TLD. (JP) | 2007-04-19 | — | — | US | disclosed |
| US-20050106469-A1 | Metal oxide hydrate, a phyllosilicate, hygroscopic inorganic porous compound; a polyarylene having a sulfonic group; excellent proton conductivity; membrane | JSR CORPORATION | 2005-05-19 | — | — | US | disclosed |
| JP-H08310865-A | DIAMOND SINTERED COMPACT AND ITS PRODUCTION | SUMITOMO ELECTRIC IND LTD | 1996-11-26 | — | — | JP | disclosed |