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 SCHEMBL18940 | 1.00 | — | — | |
| Water SCHEMBL28848398 | 1.00 | — | — | |
| Water SCHEMBL4369624 | 1.00 | — | — | |
| Water SCHEMBL867052 | 1.00 | — | — | |
| Water SCHEMBL4374099 | 1.00 | — | — | |
| Water SCHEMBL9472087 | 1.00 | — | — | |
| Water SCHEMBL23928443 | 0.87 | — | — | |
| Water SCHEMBL4582406 | 0.87 | — | — | |
| Water SCHEMBL2244184 | 0.87 | — | — | |
| Water SCHEMBL8982529 | 0.87 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108855037-A | A kind of preparation method of alumina-silica zinc composite catalyzing material | 刘青 | 2018-11-23 | — | — | CN | claimed |
| CN-101747631-B | Flame-retardant room temperature vulcanized silicone rubber composition | INST PROCESS ENG CAS | 2012-07-25 | — | — | CN | claimed |
| CN-101747630-B | Tracking-proof corrosion-proof room temperature silicon disulfide rubber composition | CHINA ELECTRIC POWER RESEARCH INSTITUTE (CN) | 2012-02-01 | — | — | CN | claimed |
| CN-101747630-A | Tracking-proof corrosion-proof room temperature silicon disulfide rubber composite | BEIJING GUODIAN FUTONG SCIENCE | 2010-06-23 | — | — | CN | claimed |
| CN-101747631-A | Flame-retardant room temperature vulcanized silicone rubber composition | BEIJING GUODIAN FUTONG SCIENCE | 2010-06-23 | — | — | CN | claimed |
| CN-109554062-A | A kind of novel wear resistant coating | 鄄城广泰耐磨制品有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-108855037-A | A kind of preparation method of alumina-silica zinc composite catalyzing material | 刘青 | 2018-11-23 | — | — | CN | disclosed |
| CN-108855037-A | A kind of preparation method of alumina-silica zinc composite catalyzing material | 刘青 | 2018-11-23 | — | — | CN | disclosed |
| CN-108026407-A | Storage-stable aqueous compositions and process for their preparation | 陶氏环球技术有限责任公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-104800093-B | A kind of sunscreen composition containing layered composite metal hydroxides and preparation method thereof | 北京工商大学 | 2016-10-26 | — | — | CN | disclosed |
| CN-105366708-A | Method for producing aluminum zinc oxide by using zinc-containing waste liquid | FIRST RARE MAT CO LTD | 2016-03-02 | — | — | CN | disclosed |
| CN-104800093-A | Sunscreen composition containing layered composite metal hydroxide and preparation method thereof | UNIV BEIJING TECH & BUSINESS | 2015-07-29 | — | — | CN | disclosed |
| US-8420749-B2 | Epoxy resin composition and cured article thereof, semiconductor encapsulation material, novel phenol resin, and novel epoxy resin | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2013-04-16 | — | — | US | disclosed |
| CN-101747631-B | Flame-retardant room temperature vulcanized silicone rubber composition | INST PROCESS ENG CAS | 2012-07-25 | — | — | CN | disclosed |
| CN-101747630-B | Tracking-proof corrosion-proof room temperature silicon disulfide rubber composition | CHINA ELECTRIC POWER RESEARCH INSTITUTE (CN) | 2012-02-01 | — | — | CN | disclosed |
| CN-101747631-A | Flame-retardant room temperature vulcanized silicone rubber composition | BEIJING GUODIAN FUTONG SCIENCE | 2010-06-23 | — | — | CN | disclosed |
| CN-101747630-A | Tracking-proof corrosion-proof room temperature silicon disulfide rubber composite | BEIJING GUODIAN FUTONG SCIENCE | 2010-06-23 | — | — | CN | disclosed |
| CN-101412912-A | Rare earth composite flame retardant and preparation thereof | GRIREM ADVANCED MATERIALS CO (CN) | 2009-04-22 | — | — | CN | disclosed |
| US-20090054585-A1 | EPOXY RESIN COMPOSITION AND CURED ARTICLE THEREOF, SEMICONDUCTOR ENCAPSULATION MATERIAL, NOVEL PHENOL RESIN, AND NOVEL EPOXY RESIN | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2009-02-26 | — | — | US | disclosed |