Water

Water

SCHEMBL4625510

O.O.O.O.O.O.O.O.O.O.O=P(=O)[O-].[Na+]

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 SCHEMBL5699284 1.00
Water SCHEMBL441737 1.00
Water SCHEMBL11057188 1.00
Water SCHEMBL1938000 1.00
Water SCHEMBL1937082 1.00
Water SCHEMBL11328187 1.00
SCHEMBL49117 0.94
SCHEMBL177705 0.94
SCHEMBL9067887 0.94
SCHEMBL3948431 0.94

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1275695-B1 CURABLE COMPOSITION AND MULTILAYERED CIRCUIT SUBSTRATE ZEON CORP (JP) 2008-06-18 EP disclosed
US-20070218397-A1 Production Process of Polymerized Toner ZEON CORPORATION (JP) 2007-09-20 US disclosed
EP-1271254-B1 ELECTROPHOTOGRAPHIC DEVELOPER, PROCESS FOR PRODUCING THE SAME, AND METHOD OF FORMING IMAGE ZEON CORP (JP) 2006-08-09 EP disclosed
US-7008747-B2 Electrophotographic developer, production process thereof and image forming process ZEON CORPORATION (JP) 2006-03-07 US disclosed
US-6955848-B2 Curable composition and multilayered circuit substrate ZEON CORPORATION (JP) 2005-10-18 US disclosed
US-20050048394-A1 Electrophotographic developer, production process thereof and image forming process ZEON CORPORATION (JP) 2005-03-03 US disclosed
US-6818371-B2 AN ELECTROPHOTOGRAPHIC DEVELOPER CONTAINING AT LEAST ONE ELEMENT SELECTED FROM THE GROUP CONSISTING OF BORON AND PHOSPHORUS IN A CONTENT OF 0.1 TO 100 PPM, WHICH PROVIDE EXCELLENT FLOWABILITY AND SHELF-STABILITY TO THE DEVELOPER ZEON CORPORATION (JP) 2004-11-16 US disclosed
US-20030146421-A1 Curable composition and multilayered circuit substrate ZEON CORPORATION (JP) 2003-08-07 US disclosed
US-6534233-B1 Homogenizing the monomer compositions in an aqueous dispersion medium containing a dispersion stabilizer to generate droplets; polymerizing the droplets to obtain colored polymer particles ZEON CORPORATION (JP) 2003-03-18 US disclosed
US-20030022086-A1 Electrophotographic developer, process for producing the same, and method of forming image ZEON CORPORATION (JP) 2003-01-30 US disclosed
EP-1275695-A1 CURABLE COMPOSITION AND MULTILAYERED CIRCUIT SUBSTRATE Zeon Corporation (JP) 2003-01-15 EP disclosed
EP-1271254-A1 ELECTROPHOTOGRAPHIC DEVELOPER, PROCESS FOR PRODUCING THE SAME, AND METHOD OF FORMING IMAGE Zeon Corporation (JP) 2003-01-02 EP disclosed