Water

Water

SCHEMBL3890263

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nearest known ligand 0.00

Full drug profile on Sugi Atlas →

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL3751176 1.00
Water SCHEMBL27529 1.00
Water SCHEMBL3757657 1.00
Water SCHEMBL1562013 1.00
Water SCHEMBL22288080 1.00
Water SCHEMBL608426 1.00
Water SCHEMBL10490222 1.00
Water SCHEMBL3181554 1.00
Water SCHEMBL11265262 1.00
Water SCHEMBL2036070 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689828-B Surface-modified colloidal ceria polishing particles, method for producing the same, and polishing slurry composition comprising the same 凯斯科技股份有限公司 2021-05-07 CN disclosed
US-9810636-B2 Induction device PERKINELMER HEALTH SCIENCES, INC. (US) 2017-11-07 US disclosed
CN-104797659-B Pigment with photocatalytic activity, method for the production thereof and coating agent 埃卡特有限公司 2017-04-26 CN disclosed
US-20170045460-A1 INDUCTION DEVICE PERKINELMER U.S. LLC 2017-02-16 US disclosed
EP-1929257-B1 INDUCTION DEVICE FOR GENERATING A PLASMA PERKINELMER INC (US) 2016-11-30 EP disclosed
US-9360430-B2 Induction device PERKINELMER HEALTH SERVICES, INC. (US) 2016-06-07 US disclosed
US-20150085280-A1 INDUCTION DEVICE PERKINELMER HEALTH SCIENCES, INC. (US) 2015-03-26 US disclosed
US-8742283-B2 Induction device PERKINELMER HEALTH SCIENCES, INC. (US) 2014-06-03 US disclosed
US-20120325783-A1 INDUCTION DEVICE PERKINELMER U.S. LLC 2012-12-27 US disclosed
US-8263897-B2 Induction device PERKINELMER HEALTH SCIENCES, INC. (US) 2012-09-11 US disclosed
US-20090166179-A1 Induction Device PERKINELMER U.S. LLC 2009-07-02 US disclosed
US-7511246-B2 Induction device for generating a plasma PERKINELMER LAS INC. (US) 2009-03-31 US disclosed
EP-1929257-A2 INDUCTION DEVICE FOR GENERATING A PLASMA PerkinElmer, Inc. (US) 2008-06-11 EP disclosed
WO-2007027784-A2 INDUCTION DEVICE FOR GENERATING A PLASMA PERKINELMER, INC. (US) 2007-03-08 WO disclosed
US-20060038992-A1 Induction device for generating a plasma PERKINELMER, INC. (US) 2006-02-23 US disclosed
US-6120571-A Polishing agent for semiconductor and method for its production SEIMI CHEMICAL CO., LTD. (JP) 2000-09-19 US disclosed
US-4107156-A Process for preparing gel polymer of vinyl compound and gel polymer thereof MITSUBISHI RAYON CO., LTD. (JP) 1978-08-15 US disclosed