Water

Water

SCHEMBL914618

O.O[Si](O)(O)O.[Fe].[KH].[Ti]

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 SCHEMBL663593 0.94
Water SCHEMBL665047 0.88
Water SCHEMBL665050 0.88
Water SCHEMBL28696356 0.87
Water SCHEMBL1109687 0.87
SCHEMBL26633896 0.87
Water SCHEMBL781994 0.87
Water SCHEMBL8169807 0.87
SCHEMBL8026198 0.87
Water SCHEMBL8010864 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404714-B2 Combinations to improve animal health and performance NOVUS INTERNATIONAL, INC. (US) 2013-03-26 US disclosed
US-20110172269-A1 ANTIOXIDANT COMBINATIONS FOR USE IN FEED RATIONS TO INCREASE MILK PRODUCTION AND MILK FAT NOVUS INTERNATIONAL INC. (US) 2011-07-14 US disclosed
US-7910604-B2 Antioxidant combinations for use in feed rations to increase milk production and milk fat NOVUS INTERNATIONAL, INC. (US) 2011-03-22 US disclosed
US-20110021461-A1 COMBINATIONS TO IMPROVE ANIMAL HEALTH AND PERFORMANCE NOVUS INTERNATIONAL INC. (US) 2011-01-27 US disclosed
WO-2009088879-A1 COMBINATIONS TO IMPROVE ANIMAL HEALTH AND PERFORMANCE NOVUS INTERNATIONAL INC. (US) 2009-07-16 WO disclosed
EP-2037923-A2 ANTIOXIDANT COMBINATIONS FOR USE IN RUMINANT FEED RATIONS HAVING A FAT SOURCE Novus International, Inc. (US) 2009-03-25 EP disclosed
US-20080014323-A1 ANTIOXIDANT COMBINATIONS FOR USE IN FEED RATIONS TO IMPROVE ANTIOXIDANT STATUS OF RUMINANTS NOVUS INTERNATIONAL INC. (US) 2008-01-17 US disclosed
US-20080015218-A1 ANTIOXIDANT COMBINATIONS FOR USE IN RUMINANT FEED RATIONS HAVING A FAT SOURCE NOVUS INTERNATIONAL INC. (US) 2008-01-17 US disclosed
US-20080015217-A1 ANTIOXIDANT COMBINATIONS FOR USE IN RUMINANT FEED RATIONS NOVUS INTERNATIONAL, INC. (US) 2008-01-17 US disclosed
US-20080014301-A1 ANTIOXIDANT COMBINATIONS FOR USE IN FEED RATIONS TO INCREASE MILK PRODUCTION AND MILK FAT NOVUS INTERNATIONAL INC. (US) 2008-01-17 US disclosed
WO-2008008637-A2 ANTIOXIDANT COMBINATIONS FOR USE IN RUMINANT FEED RATIONS HAVING A FAT SOURCE NOVUS INTERNATIONAL INC. (US) 2008-01-17 WO disclosed
US-7195799-B2 Polymer composition for traction on ice THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-27 US disclosed
WO-2006017546-A1 ANIONIC-CONTAING FEED SUPPLEMENTS HAVING A LOW PROTEIN BY-PASS VALUE NOVUS INTERNATIONAL, INC. (US) 2006-02-16 WO disclosed
US-20060029646-A1 Anionic-containing feed supplements having a low protein by-pass value NOVUS INTERNATIONAL, INC. 2006-02-09 US disclosed
US-20050070681-A1 Polymer composition for traction on ice BOARD OF REGENTS, THE UNIVERITY OF TEXAS SYSTEM 2005-03-31 US disclosed