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 SCHEMBL11061842 | 1.00 | — | — | |
| Water SCHEMBL94343 | 1.00 | — | — | |
| Water SCHEMBL8477073 | 1.00 | — | — | |
| Water SCHEMBL8745540 | 1.00 | — | — | |
| Water SCHEMBL11059872 | 1.00 | — | — | |
| Water SCHEMBL1983786 | 1.00 | — | — | |
| Water SCHEMBL3644096 | 1.00 | — | — | |
| Water SCHEMBL9297984 | 1.00 | — | — | |
| Water SCHEMBL5802169 | 1.00 | — | — | |
| Water SCHEMBL8153667 | 1.00 | — | — |
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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109181580-A | A kind of PVC processing adhesive | 安徽瑞腾塑业有限公司 | 2019-01-11 | — | — | CN | claimed |
| CN-108975417-A | A kind of water purification agent | 南京骏诺电脑开水器制造有限公司 | 2018-12-11 | — | — | CN | claimed |
| CN-108822463-A | A kind of gel carbon nanotube and preparation method thereof | 合肥艾飞新材料有限公司 | 2018-11-16 | — | — | CN | claimed |
| CN-107875087-A | Moisturizing type antibacterial hand sanitizer and preparation method thereof | 东兴市良佳优农林科技有限公司 | 2018-04-06 | — | — | CN | claimed |
| CN-107875088-A | Antibacterial hand sanitizer and preparation method thereof | 东兴市良佳优农林科技有限公司 | 2018-04-06 | — | — | CN | claimed |
| CN-106544166-A | A kind of dish washing detergent with disinfection function | 周国萍 | 2017-03-29 | — | — | CN | claimed |
| CN-106120337-A | A kind of environment-friendly type stiffening agent and preparation method thereof | 潘明华 | 2016-11-16 | — | — | CN | claimed |
| CN-105960880-A | Germination accelerating method of Pinus thunbergii seeds | 枞阳县熊天然生态农业有限公司 | 2016-09-28 | — | — | CN | claimed |
| CN-105970014-A | Heat-conduction type high-hardness composite material and preparation method thereof | 陈昌 | 2016-09-28 | — | — | CN | claimed |
| CN-105969245-A | Waterproof anti-corrosion starch adhesive with excellent flexibility | 合肥东彩印刷科技有限公司 | 2016-09-28 | — | — | CN | claimed |
| CN-103215596-A | Metal rust preventive oil containing chlorobutanol | ANHUI FANCHANG COUNTY WANNAN VALVE CASTING CO LTD | 2013-07-24 | — | — | CN | claimed |
| CN-103214886-A | Metal rust preventive oil containing butyl acrylate | ANHUI FANCHANG COUNTY WANNAN VALVE CASTING CO LTD | 2013-07-24 | — | — | CN | claimed |
| CN-103103532-A | Metal antirust agent containing modified nanometer calcined zeolite powder | TONGLING XIANGYUN FIRE FIGHTING TECHNOLOGY CO LTD | 2013-05-15 | — | — | CN | claimed |
| CN-103012674-A | Polymeric quaternary ammonium salt with suspension function and application thereof | DAUNI RES CT OF ADVANCED SCIENCE & TECHNOLOGY CO LTD | 2013-04-03 | — | — | CN | claimed |
| CN-102978014-A | Furniture detergent | NANTONG ZHONGREN LEISURE GOODS CO LTD | 2013-03-20 | — | — | CN | claimed |
| CN-102876471-A | Detergent for hand washing of dishes | NANTONG DONGTAI NEW ENERGY EQUIPMENT CO LTD | 2013-01-16 | — | — | CN | claimed |
| CN-101638273-A | High-efficiency corrosion-mitigation scale-inhibition water saving agent for boiler | ZHENHAI ZHANG | 2010-02-03 | — | — | CN | claimed |
| CN-101215460-A | Environment-friendly type long-acting automobile cooling liquid formulation and producing technique thereof | JIHUA GROUP JILIN XINGYUN INDU (CN) | 2008-07-09 | — | — | CN | claimed |
| CN-1081975-C | Method for forming insulated products and building products formed in accordance therewith | RADVA CORP (US) | 2002-04-03 | — | — | CN | claimed |
| US-5749960-A | Formulation for producing heat insulating material and method for producing the same | RADVA CORPORATION (US) | 1998-05-12 | — | — | US | claimed |