Water

Water

SCHEMBL72648

O.[Ba+2].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-]

nearest known ligand 0.57

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 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57

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 SCHEMBL241427 1.00 ALDH1A1 (0.57) ALDH1A1
SCHEMBL147412 0.91
SCHEMBL29373147 0.91
Water SCHEMBL6547295 0.91 ALDH1A1 (0.67) ALDH1A1
Water SCHEMBL1412394 0.83 ALDH1A1 (0.57) ALDH1A1
Water SCHEMBL4891505 0.83 ALDH1A1 (0.57) ALDH1A1
Water SCHEMBL5933985 0.83 ALDH1A1 (0.57) ALDH1A1
Water SCHEMBL10747924 0.83 ALDH1A1 (0.57) ALDH1A1
Water SCHEMBL5887874 0.83
Water SCHEMBL4457293 0.83 ALDH1A1 (0.57) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621122-A Preparation and purification method of ammonium chlorate crystals 公安部鉴定中心 2023-08-22 CN claimed
US-11650474-B2 Chromatic devices comprising a salt-based electrolyte UNIVERSITY OF SOUTH FLORIDA (US) 2023-05-16 US claimed
US-20220357628-A1 CHROMATIC DEVICES COMPRISING A SALT-BASED ELECTROLYTE UNIVERSITY OF SOUTH FLORIDA 2022-11-10 US claimed
US-11402720-B1 Chromatic devices comprising a salt-based electrolyte UNIVERSITY OF SOUTH FLORIDA (US) 2022-08-02 US claimed
US-10416524-B1 Chromatic devices comprising a salt-based electrolyte UNIVERSITY OF SOUTH FLORIDA (US) 2019-09-17 US claimed
CN-116621122-A Preparation and purification method of ammonium chlorate crystals 公安部鉴定中心 2023-08-22 CN disclosed
CN-116621122-A Preparation and purification method of ammonium chlorate crystals 公安部鉴定中心 2023-08-22 CN disclosed
US-11650474-B2 Chromatic devices comprising a salt-based electrolyte UNIVERSITY OF SOUTH FLORIDA (US) 2023-05-16 US disclosed
US-20220357628-A1 CHROMATIC DEVICES COMPRISING A SALT-BASED ELECTROLYTE UNIVERSITY OF SOUTH FLORIDA 2022-11-10 US disclosed
US-11402720-B1 Chromatic devices comprising a salt-based electrolyte UNIVERSITY OF SOUTH FLORIDA (US) 2022-08-02 US disclosed
US-11385482-B2 Solid state touchchromic device UNIVERSITY OF SOUTH FLORIDA (US) 2022-07-12 US disclosed
US-20200355947-A1 SOLID STATE TOUCHCHROMIC DEVICE UNIVERSITY OF SOUTH FLORIDA 2020-11-12 US disclosed
WO-2008134484-A2 CATALYST AND METHOD FOR CONVERTING NATURAL GAS TO HIGHER CARBON COMPOUNDS HRD CORP. (US) 2008-11-06 WO disclosed
WO-2006112533-A1 WATER-CONTAINING GEL FORM AND PRODUCTION METHOD THEREOF SHOWA DENKO K.K. (JP) 2006-10-26 WO disclosed
WO-2003082401-A2 APPARATUS FOR DYNAMIC ANGULAR POSITION TRACKING NEW YORK STATE DEPARTMENT OF MENTAL HYGIENE OFFICE OF MENTAL HEALTH (US) 2003-10-09 WO disclosed
EP-0189690-B1 SUBSTITUTED AROMATIC SULFONAMIDES, THEIR PREPARATION AND OPHTHALMIC COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-03-01 EP disclosed
US-4677115-A Antiglaucoma thieno-thiopyran and thieno-thiepin sulfonamide derivatives, compositions, and method of use thereof MERCK & CO., INC. (US) 1987-06-30 US disclosed
EP-0189690-A1 Substituted aromatic sulfonamides, their preparation and ophthalmic compositions containing them MERCK & CO. INC. (US) 1986-08-06 EP disclosed
US-4373391-A ELECTRICAL HYGROMETER COMPRISING A CHLORATE, PERCHLORATE, OR CHLOROALUMINATE OF A GROUP 1A OR 2A METAL AND COBALT OXIDE, ZIRCONIUM AND/OR MAGNESIUM OXIDE GENERAL ELECTRIC COMPANY (US) 1983-02-15 US disclosed
US-3939156-A Cardenolides KNOLL A.G. CHEMISCHE FABRIKEN (DT) 1976-02-17 US disclosed