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 | |
|---|---|---|---|---|
| SCHEMBL11315 | 0.96 | — | — | |
| SCHEMBL29111503 | 0.92 | — | — | |
| SCHEMBL28635244 | 0.92 | — | — | |
| Methane SCHEMBL27672338 | 0.92 | — | — | |
| SCHEMBL1554363 | 0.92 | — | — | |
| SCHEMBL28592050 | 0.92 | — | — | |
| SCHEMBL28634240 | 0.92 | — | — | |
| SCHEMBL28316088 | 0.92 | — | — | |
| SCHEMBL11302754 | 0.85 | — | — | |
| Triethylene Glycol SCHEMBL2361297 | 0.82 | MEN1 (0.73) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110872459-B | Water-based ink | 上海晨光文具股份有限公司 | 2022-06-14 | — | — | CN | claimed |
| CN-110872459-A | Water-based ink | 上海晨光文具股份有限公司 | 2020-03-10 | — | — | CN | claimed |
| CN-103285625-B | Defoaming method for reverse flotation desilication of phosphorite | BEIJING GENERAL RESEARCH INSTITUTE OF MINING AND METALLURGY (CN) | 2015-08-26 | — | — | CN | claimed |
| CN-103285625-A | Defoaming method for reverse flotation desilication of phosphorite | BEIJING GEN RES INST MINING | 2013-09-11 | — | — | CN | claimed |
| EP-1003482-B1 | MICROPARTICLES FOR CONTROLLED DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES | ISI IST SIEROVACCINOGENO ITAL (IT) | 2005-04-27 | — | — | EP | claimed |
| EP-1003482-A1 | MICROPARTICLES FOR CONTROLLED DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES | ISTITUTO SIEROVACCINOGENO ITALIANO I.S.I. S.p.A. (IT) | 2000-05-31 | — | — | EP | claimed |
| WO-1999002135-A1 | MICROPARTICLES FOR CONTROLLED DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES | ISTITUTO SIEROVACCINOGENO ITALIANO I.S.I. S.P.A. (IT) | 1999-01-21 | — | — | WO | claimed |
| CN-110872459-B | Water-based ink | 上海晨光文具股份有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-110872459-A | Water-based ink | 上海晨光文具股份有限公司 | 2020-03-10 | — | — | CN | disclosed |
| CN-108004771-A | A kind of environment-friendly size auxiliary agent and preparation method and application | 浙江玉帛纺织有限公司 | 2018-05-08 | — | — | CN | disclosed |
| CN-103285625-B | Defoaming method for reverse flotation desilication of phosphorite | BEIJING GENERAL RESEARCH INSTITUTE OF MINING AND METALLURGY (CN) | 2015-08-26 | — | — | CN | disclosed |
| CN-103285625-A | Defoaming method for reverse flotation desilication of phosphorite | BEIJING GEN RES INST MINING | 2013-09-11 | — | — | CN | disclosed |
| CN-1980863-B | Zeolitic microporous crystalline material with an LTA structure (ITQ-29), preparation method thereof and uses of same in organic compound separation and transformation processes | CONSEJO SUPERIOR INVESTIGACION | 2011-05-18 | — | — | CN | disclosed |
| CN-1980863-A | Zeolitic microporous crystalline material with an lta structure (ITQ-29), preparation method thereof and uses of same in organic compound separation and transformation processes | CONSEJO SUPERIOR INVESTIGACION (ES) | 2007-06-13 | — | — | CN | disclosed |
| EP-1003482-B1 | MICROPARTICLES FOR CONTROLLED DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES | ISI IST SIEROVACCINOGENO ITAL (IT) | 2005-04-27 | — | — | EP | disclosed |
| EP-1003482-A1 | MICROPARTICLES FOR CONTROLLED DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES | ISTITUTO SIEROVACCINOGENO ITALIANO I.S.I. S.p.A. (IT) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999002135-A1 | MICROPARTICLES FOR CONTROLLED DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES | ISTITUTO SIEROVACCINOGENO ITALIANO I.S.I. S.P.A. (IT) | 1999-01-21 | — | — | WO | disclosed |