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 SCHEMBL27624910 | 1.00 | — | — | |
| Water SCHEMBL27780603 | 0.94 | — | — | |
| Potassium Ion SCHEMBL105353 | 0.94 | — | — | |
| Water SCHEMBL7867 | 0.88 | — | — | |
| Water SCHEMBL4625950 | 0.88 | — | — | |
| Water SCHEMBL1136940 | 0.88 | — | — | |
| Water SCHEMBL27722756 | 0.88 | — | — | |
| Water SCHEMBL2377989 | 0.88 | — | — | |
| Potassium Ion SCHEMBL5474919 | 0.88 | — | — | |
| Water SCHEMBL3173119 | 0.88 | — | — |
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 245 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118420662-A | Process for preparing dialkylphosphinic salts and flame retardants | 菏泽奕普新材料有限公司 | 2024-08-02 | — | — | CN | claimed |
| CN-109554145-A | High-temperature-resistant peelable glue and preparation method thereof | 臻鼎科技股份有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-108783430-A | A kind of preparation method of rose ferment | 河南工业大学 | 2018-11-13 | — | — | CN | claimed |
| CN-106278898-B | A kind of peptide condensation reagent 3 ', 5 '-bis trifluoromethyl biphenyl -3,5- iodosobenzen ediacetates and preparation method thereof | 南开大学 | 2018-10-30 | — | — | CN | claimed |
| CN-108178737-A | 4 '-(4- bromonaphthalene -1- bases) [1,1 '-xenyl] -4- nitriles and its synthetic method | 河南省科学院化学研究所有限公司 | 2018-06-19 | — | — | CN | claimed |
| CN-104774209-B | A kind of synthetic method of 9- allyl-camptothecines derivative | 上海海和药物研究开发有限公司 | 2018-06-19 | — | — | CN | claimed |
| CN-108047087-A | 3 '-(4- bromonaphthalene -1- bases) [1,1 '-xenyl] -4- nitriles and its synthetic method | 河南省科学院化学研究所有限公司 | 2018-05-18 | — | — | CN | claimed |
| CN-107903158-A | A kind of synthetic method of 1,2,3 triphenyls, the third 1 ketone | 郑州大学 | 2018-04-13 | — | — | CN | claimed |
| CN-107903204-A | A kind of synthetic method of donepezil | 郑州大学 | 2018-04-13 | — | — | CN | claimed |
| CN-107867988-A | A kind of synthetic method of the acetone of 1,3 diphenyl 1 | 郑州大学 | 2018-04-03 | — | — | CN | claimed |
| CN-102126962-A | Method for preparing 2,4, 6-triarylaniline compound in aqueous phase | UNIV DALIAN TECH | 2011-07-20 | — | — | CN | claimed |
| CN-101891569-A | Preparation method of alpha-aromatic ketone compound | UNIV WUHAN | 2010-11-24 | — | — | CN | claimed |
| CN-101768042-A | Method for preparing polysubstituted indene skeleton derivative | UNIV FUDAN | 2010-07-07 | — | — | CN | claimed |
| CN-101733162-A | Organic metal framework supported palladium, preparation method and application thereof | UNIV SHANGHAI JIAOTONG | 2010-06-16 | — | — | CN | claimed |
| CN-101506093-A | Stabilized compositions for the production of chlorine dioxide | BASF CATALYSTS LLC (US) | 2009-08-12 | — | — | CN | claimed |
| CN-101475428-A | Room temperture nickel catalysis dechlorination method for chlorinated aromatic hydrocarbons | UNIV DALIAN TECH (CN) | 2009-07-08 | — | — | CN | claimed |
| CN-101456790-A | Method for preparing diaryl alcohol by catalyzing addition reaction of aryl boric acid and aldehyde by nickel | UNIV DALIAN TECH (CN) | 2009-06-17 | — | — | CN | claimed |
| CN-1321734-C | Synthesizing inorganic microcapsules of storing energy through phase change by using method of solution precipitation polymerization | UNIV DONGHUA (CN) | 2007-06-20 | — | — | CN | claimed |
| CN-1695787-A | Synthesizing inorganic microcapsules of storing energy through phase change by using method of solution precipitation polymerization | UNIV DONGHUA (CN) | 2005-11-16 | — | — | CN | claimed |
| CN-1610579-A | Hydrocarbon steam cracking catalyst for olefin preparation, method for preparing the same, and olefin preparation method using the same | LG CHEMICAL LTD (KR) | 2005-04-27 | — | — | CN | claimed |