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 SCHEMBL29162933 | 1.00 | — | — | |
| Water SCHEMBL28475129 | 0.96 | — | — | |
| Water SCHEMBL7201564 | 0.96 | — | — | |
| SCHEMBL867332 | 0.91 | — | — | |
| SCHEMBL20549279 | 0.91 | — | — | |
| SCHEMBL25309793 | 0.91 | — | — | |
| SCHEMBL9623851 | 0.91 | — | — | |
| SCHEMBL20526664 | 0.91 | — | — | |
| SCHEMBL9623601 | 0.91 | — | — | |
| SCHEMBL9623859 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118222288-A | PtAg alloy nanocluster and preparation method and application thereof | 安徽大学 | 2024-06-21 | — | — | CN | disclosed |
| CN-106232677-B | Method for preparing polyetherimide | 沙特基础工业全球技术有限公司 | 2019-01-15 | — | — | CN | disclosed |
| CN-106232677-A | Method for preparing polyetherimide | 沙特基础工业全球技术有限公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-104039772-A | Process for the preparation of furfural | DU PONT | 2014-09-10 | — | — | CN | disclosed |
| CN-102453566-A | Purified gas dehydration process applied to high-sulfur natural gas | JUNHAI YUAN | 2012-05-16 | — | — | CN | disclosed |
| CN-102452644-A | Sulfur recovery process applied to high-sulfur natural gas | JUNHAI YUAN | 2012-05-16 | — | — | CN | disclosed |
| EP-1615902-B1 | METHOD FOR PRODUCTION OF 4,10 BETA-DIACETOXY-2 ALPHA-BENZOYLOXY-5 BETA,20-EPOXY-1,13 ALPHA-DIHYDROXY-9-OXO-19-NORCYCLOPROPA[G]TAX-11-ENE | AVENTIS PHARMA SA (FR) | 2008-02-20 | — | — | EP | disclosed |
| CN-1317271-C | Process for preparing 4,10 beta-diacetoxy-2 alpha-benzoyloxy-5 beta, 20-epoxy-1, 13 alpha-dihydroxy-9-oxo-19-nor-cyclopropa [ g ] tax-11-ene | AVENTIS PHARMA SA (FR) | 2007-05-23 | — | — | CN | disclosed |
| CN-1774430-A | Process for the preparation of 4, 10 beta- diacetoxy-2 alpha-benzoyloxy-5 beta, 20-epoxy-1, 13 alpha-dihydroxy-9-oxo-19-norcyclopropa [g] tax-11-ene | AVENTIS PHARMA SA (FR) | 2006-05-17 | — | — | CN | disclosed |
| EP-1615902-A1 | METHOD FOR PRODUCTION OF 4,10 BETA-DIACETOXY-2 G(A)-BENZOY LOXY-5 G(B),20-EPOXY-1,13 G(A)-DIHYDROXY-9-OXO-19-NORCYCLOPROPA G TAX-11-ENE | Aventis Pharma S.A. (FR) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004092151-A1 | METHOD FOR PRODUCTION OF 4,10β-DIACETOXY-2$G(A)-BENZOYLOXY-5$G(B),20-EPOXY-1,13$G(A)-DIHYDROXY-9-OXO-19-NORCYCLOPROPA[G]TAX-11-ENE | AVENTIS PHARMA S.A. (FR) | 2004-10-28 | — | — | WO | disclosed |