Water

Water

SCHEMBL457728

O.O.O.[CaH2]

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 SCHEMBL9489446 1.00
Water SCHEMBL9136338 1.00
Water SCHEMBL8332252 1.00
Water SCHEMBL5193902 1.00
Water SCHEMBL486758 1.00
Water SCHEMBL409681 1.00
Water SCHEMBL5595444 1.00
Water SCHEMBL570871 1.00
Water SCHEMBL8664030 1.00
Water SCHEMBL10626151 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 162 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693166-A Municipal sludge pollution-free treatment process and application thereof 浙江筑微科技有限公司 2023-09-05 CN claimed
CN-116621416-A Composite sludge conditioner and application thereof 浙江筑微科技有限公司 2023-08-22 CN claimed
CN-115742443-A Production device of three-in-one calcium chewable tablets 江西华太药业有限公司 2023-03-07 CN claimed
CN-113166614-B High chemical resistance coating for protection against aggressive environments 3M创新有限公司 2023-03-03 CN claimed
CN-113166614-A High chemical resistance coating for protection against aggressive environments 3M创新有限公司 2021-07-23 CN claimed
EP-3426232-B1 A MAZINDOL IR/SR MULTILAYER TABLET AND ITS USE FOR THE TREATMENT OF ATTENTION DEFICIT/HYPERACTIVITY DISORDER (ADHD) NLS PHARMACEUTICS AG (CH) 2021-06-02 EP claimed
EP-3654955-A1 PHARMACEUTICAL COMPOSITIONS Eli Lilly and Company (US) 2020-05-27 EP claimed
EP-3494098-A1 FIRE RESISTANT COATING AND HIGH STRENGTH, DENSITY CONTROLLED COLD FUSION CONCRETE CEMENTITIOUS SPRAY APPLIED FIREPROOFING Geopolymer Solutions LLC (US) 2019-06-12 EP claimed
WO-2019018155-A1 PHARMACEUTICAL COMPOSITIONS ELI LILLY AND COMPANY (US) 2019-01-24 WO claimed
EP-3340980-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN HMG-COA REDUCTASE INHIBITOR AND AN ECA INHIBITOR Les Laboratoires Servier (FR) 2018-07-04 EP claimed
EP-2393516-B1 STABLE, TASTE AND ODOR MASKED PHARMACEUTICAL COMPOSITIONS COMPRISING N-ACETYLCYSTEINE AND VITAMIN C BILGIC MAHMUT (TR) 2015-12-02 EP claimed
EP-2393478-B1 TASTE AND ODOR MASKED PHARMACEUTICAL COMPOSITIONS WITH HIGH BIOAVAILABILITY BILGIC MAHMUT (TR) 2015-06-17 EP claimed
EP-2394644-B1 Trimetazidine Formulation With Different Release Profiles Sanovel Ilaç Sanayi Ve Ticaret Anonim Sirketi (TR) 2014-07-09 EP claimed
EP-2157185-B1 Process for production of succinic acid, and process for production of ammonium succinate solution AJINOMOTO KK (JP) 2014-05-14 EP claimed
EP-1660104-B1 PHARMACEUTICAL FORMULATION COMPRISING LANTHANUM COMPOUNDS SHIRE HOLDINGS AG (CH) 2010-03-10 EP claimed
EP-1478339-B9 PHARMACEUTICAL FORMULATIONS OF ANTINEOPLASTIC AGENTS, IN PARTICULAR TEMOZOLOMIDE, PROCESSES OF MAKING AND USING THE SAME SCHERING CORP (US) 2009-08-19 EP claimed
EP-1478339-B1 PHARMACEUTICAL FORMULATIONS OF ANTINEOPLASTIC AGENTS, IN PARTICULAR TEMOZOLOMIDE, PROCESSES OF MAKING AND USING THE SAME SCHERING CORP (US) 2008-06-04 EP claimed
CN-1863511-A Dosage forms providing controlled release cholesteryl ester transfer protein inhibitors and immediate release HMG-CoA reductase inhibitors PFIZER (US) 2006-11-15 CN claimed
EP-1175220-B1 NANOPARTICULATE EPLERENONE COMPOSITIONS PHARMACIA CORP (US) 2005-04-27 EP claimed
EP-0991415-B1 ORALLY ADMINISTRABLE SOLID RIBAVIRIN DOSAGE FORMS AND PROCESS FOR MAKING THEM SCHERING CORP (US) 2003-03-12 EP claimed