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 SCHEMBL9069270 | 1.00 | — | — | |
| Water SCHEMBL5464572 | 1.00 | — | — | |
| Water SCHEMBL3893440 | 1.00 | — | — | |
| Water SCHEMBL373754 | 1.00 | — | — | |
| Water SCHEMBL10795870 | 1.00 | — | — | |
| Water SCHEMBL8035384 | 1.00 | — | — | |
| Water SCHEMBL17768887 | 1.00 | — | — | |
| Water SCHEMBL10986986 | 1.00 | — | — | |
| Water SCHEMBL10525064 | 1.00 | — | — | |
| Water SCHEMBL8407019 | 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 191 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114133622-A | Composite flame retardant and preparation method and application thereof | 宿迁联盛科技股份有限公司 | 2022-03-04 | — | — | CN | claimed |
| CN-110041883-B | Aerosol spray for pipeline protection and preparation method thereof | 王锦云 | 2020-07-28 | — | — | CN | claimed |
| CN-108193058-A | A kind of method for the ion liquid abstraction that lithium is extracted from salt lake | 潍坊学院 | 2018-06-22 | — | — | CN | claimed |
| CN-108147859-A | Nitric acid ca and mg fertilizer and preparation method thereof | 贵州芭田生态工程有限公司 | 2018-06-12 | — | — | CN | claimed |
| CN-107118697-A | A kind of small-sized cast member drum-type ball blast sand removal auxiliary agent | 安徽索立德铸业有限公司 | 2017-09-01 | — | — | CN | claimed |
| CN-104211557-B | Method for preparing benzene, toluene and xylene by cracking C9 with ethylene | 中国石油天然气股份有限公司 | 2017-03-15 | — | — | CN | claimed |
| CN-104744073-A | Phosphor recycling ceramsite and preparation method thereof | UNIV ANHUI JIANZHU | 2015-07-01 | — | — | CN | claimed |
| CN-104211557-A | Ethylene cracking C9Method for preparing benzene, toluene and xylene | PETROCHINA CO LTD | 2014-12-17 | — | — | CN | claimed |
| CN-103848626-A | In-situ preparation method of magnesium borate-magnesium oxide multiphase superconducting material with different superconducting phase contents | UNIV SHANGHAI | 2014-06-11 | — | — | CN | claimed |
| CN-103011209-A | Ammonium chloride circulation method for producing magnesium hydroxide and calcium chloride from carbide slag and salt lake magnesium chloride | DAN JIANMING | 2013-04-03 | — | — | CN | claimed |
| US-20080099722-A1 | Method for Reducing Fouling in Furnaces | BAKER HUGHES INCORPORATED (US) | 2008-05-01 | — | — | US | claimed |
| US-20080069862-A1 | Joint preserving nutritional vitamin, mineral and herbal pet supplement | IDIDIT, INC. | 2008-03-20 | — | — | US | claimed |
| EP-1706202-A2 | PROCESS FOR THE PREPARATION OF AN OXIDIC CATALYST COMPOSITION COMPRISING A DIVALENT AND A TRIVALENT METAL | Albemarle Netherlands B.V. (NL) | 2006-10-04 | — | — | EP | claimed |
| EP-1342537-B1 | Abrasive grinding tools with hydrated grinding aids | SAINT GOBAIN ABRASIVES INC (US) | 2006-03-08 | — | — | EP | claimed |
| WO-2005058488-A2 | PROCESS FOR THE PREPARATION OF AN OXIDIC CATALYST COMPOSITION COMPRISING A DIVALENT AND A TRIVALENT METAL | ALBEMARLE NETHERLANDS B.V. (NL) | 2005-06-30 | — | — | WO | claimed |
| WO-2004089935-A1 | NOVEL CRYSTALLINE FORMS OF S-OMEPRAZOLE MAGNESIUM | HETERO DRUGS LIMITD (IN) | 2004-10-21 | — | — | WO | claimed |
| CN-1140645-C | Technology and apparatus for producing low-MgO ferrosilicon | 杨世工 | 2004-03-03 | — | — | CN | claimed |
| CN-1477056-A | Metal oxide catalyst for preparing lots of single-wall nano carbon tubes and its preparation method | 浙江大学 | 2004-02-25 | — | — | CN | claimed |
| CN-1355326-A | Technology and apparatus for producing low-MgO ferrosilicon | YANG SHIGONG (CN) | 2002-06-26 | — | — | CN | claimed |
| US-3966880-A | Method for producing alkali metal gold sulfite | AMERICAN CHEMICAL & REFINING COMPANY INC. (US) | 1976-06-29 | — | — | US | claimed |