Water

Water

SCHEMBL303843

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

nearest known ligand 0.43

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.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.35
CA4 P22748 3/20 0.43
FAHD1 Q6P587 1/20 0.43
CA1 P00915 2/20 0.40
LDHA P00338 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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 SCHEMBL11774765 1.00
Water SCHEMBL9137498 1.00 CA4 (0.43) CA4FAHD1CA1MEN1LDHA
Water SCHEMBL60220 1.00
SCHEMBL8770399 0.96 CA4 (0.46) CA4FAHD1CA1MEN1LDHA
SCHEMBL22781 0.96
Potassium Ion SCHEMBL7857699 0.92
SCHEMBL1679884 0.92
Bicarbonate SCHEMBL6047560 0.92 CA4 (0.43) CA4FAHD1CA1MEN1LDHA
Hydrogen Peroxide SCHEMBL4303609 0.92
Bicarbonate SCHEMBL7106290 0.88 CA4 (0.40) CA4FAHD1CA1MEN1LDHA

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009126560-A2 LAUNDRY COMPOSITIONS DIAMOND CHEMICAL COMPANY, INC. (US) 2009-10-15 WO claimed
US-20080188392-A1 Laundry Compositions DIAMOND CHEMICAL COMPANY, INC. (US) 2008-08-07 US claimed
WO-2006072072-A2 LAUNDRY COMPOSITIONS DIAMOND CHEMICAL COMPANY, INC. (US) 2006-07-06 WO claimed
EP-1567632-A4 NEW CLASS OF LAUNDRY COMPOSITIONS DIAMOND CHEMICAL COMPANY INC (US) 2006-03-08 EP claimed
EP-1567632-A2 NEW CLASS OF LAUNDRY COMPOSITIONS Diamond Chemical Company, Inc. (US) 2005-08-31 EP claimed
US-20050170986-A1 Laundry compositions DIAMOND CHEMICAL COMPANY, INC. 2005-08-04 US claimed
WO-2004050810-A2 NEW CLASS OF LAUNDRY COMPOSITIONS DIAMOND CHEMICAL COMPANY, INC. (US) 2004-06-17 WO claimed
EP-3339412-B2 FAST DISSOLVING SOLID DETERGENT ECOLAB USA INC (US) 2024-03-27 EP disclosed
US-11261406-B2 Fast dissolving solid detergent ECOLAB USA INC. (US) 2022-03-01 US disclosed
EP-3339412-B1 FAST DISSOLVING SOLID DETERGENT ECOLAB USA INC (US) 2021-10-13 EP disclosed
US-20200216780-A1 FAST DISSOLVING SOLID DETERGENT ECOLAB USA INC. 2020-07-09 US disclosed
US-10577565-B2 Fast dissolving solid detergent ECOLAB USA INC. (US) 2020-03-03 US disclosed
EP-2766462-B1 ACID FORMULATIONS FOR USE IN A SYSTEM FOR WAREWASHING ECOLAB USA INC (US) 2019-08-28 EP disclosed
US-20040194810-A1 Machine washing dishes using alkaline, acid and alkaline cleaning regimen; faster, lower cost ECOLAB USA INC. 2004-10-07 US disclosed
US-20040072714-A1 Stable solid enzyme compositions and methods employing them ECOLAB INC. 2004-04-15 US disclosed
EP-1356016-A1 STABLE SOLID ENZYME COMPOSITIONS AND METHODS EMPLOYING THEM ECOLAB INC. (US) 2003-10-29 EP disclosed
US-20030040458-A1 Solid detergent composition and method for solidifying a detergent composition ECOLAB INC. 2003-02-27 US disclosed
WO-2003016456-A1 SOLID DETERGENT COMPOSITION AND METHOD FOR SOLIDIFYING A DETERGENT COMPOSITION ECOLAB INC. (US) 2003-02-27 WO disclosed
US-20020177541-A1 Stable solid enzyme compositions and methods employing them ECOLAB INC. 2002-11-28 US disclosed
WO-2002061026-A1 STABLE SOLID ENZYME COMPOSITIONS AND METHODS EMPLOYING THEM ECOLAB INC. (US) 2002-08-08 WO disclosed