Water

Water

SCHEMBL2590832

O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cd+2]

nearest known ligand 0.75

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 0.75
KMT2A Q03164 1/20 0.75
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39

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 SCHEMBL708617 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL28398822 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL28478211 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL10896609 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL10566608 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL708610 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL27601262 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL23854749 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL25312255 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL20678448 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114229950-B Reactor for continuous flow photocatalytic degradation of organic micropollutants 河海大学 2023-04-18 CN claimed
CN-114229950-A Reactor for continuous flow photocatalytic degradation of organic micropollutants 河海大学 2022-03-25 CN claimed
CN-109777423-A The method for preparing quantum dot using dissaving polymer 南通创亿达新材料股份有限公司 2019-05-21 CN claimed
CN-102392282-B Method for electrochemical preparation of cadmium telluride semiconductor film under alkaline water phase condition UNIV JINAN 2014-02-12 CN claimed
US-8383450-B2 Large scale chemical bath system and method for cadmium sulfide processing of thin film photovoltaic materials STION CORPORATION (US) 2013-02-26 US claimed
CN-102392282-A Method for electrochemical preparation of cadmium telluride semiconductor film under alkaline water phase condition UNIV JINAN 2012-03-28 CN claimed
WO-2010039882-A1 LARGE SCALE CHEMICAL BATH SYSTEM AND METHOD FOR CADMIUM SULFIDE PROCESSING OF THIN FILM PHOTOVOLTAIC MATERIALS STION CORPORATION (US) 2010-04-08 WO claimed
US-20100087027-A1 Large Scale Chemical Bath System and Method for Cadmium Sulfide Processing of Thin Film Photovoltaic Materials STION CORPORATION (US) 2010-04-08 US claimed
CN-122005465-A MOFs drug carrier material rapidly coated by polydopamine and preparation method and application thereof 西北工业大学 2026-05-12 CN disclosed
CN-118610650-B Heat-resistant protection structure, battery module and electric equipment 比亚迪股份有限公司 2024-12-10 CN disclosed
CN-118745234-A Light-operated synthesis method of polyacrylonitrile with narrow molecular weight distribution and application thereof 北京光舟科技有限公司 2024-10-08 CN disclosed
CN-118610650-A Heat-resistant protection structure, battery module and electric equipment 比亚迪股份有限公司 2024-09-06 CN disclosed
CN-114229950-B Reactor for continuous flow photocatalytic degradation of organic micropollutants 河海大学 2023-04-18 CN disclosed
CN-111151275-B MoS 2 /Mo 2 C Complex, MoS 2 /Mo 2 C/CdS composite material and preparation method and application thereof 澳门大学 2022-08-30 CN disclosed
CN-102392282-A Method for electrochemical preparation of cadmium telluride semiconductor film under alkaline water phase condition UNIV JINAN 2012-03-28 CN disclosed
WO-2011138996-A1 RECONDITIONED FLUID FOR RECYCLING AND IMPROVING THE FUNCTION OF AN INDUSTRIAL LEAD-ACID WASTE BATTERY 주식회사 배터리닥터 (KR) 2011-11-10 WO disclosed
CN-101530810-B Carried molecular sieve catalyst and application thereof in 2,6-naphthalene dicarboxylic acid synthesis UNIV WENZHOU 2011-01-05 CN disclosed
CN-101530810-A Carried molecular sieve catalyst and application thereof in 2,6-naphthalene dicarboxylic acid synthesis UNIV ZHENGZHOU 2009-09-16 CN disclosed
US-5122699-A Low temperature field producer STATE UNIVERSITY OF NEW YORK (US) 1992-06-16 US disclosed
US-5107161-A Low temperature force field producer STATE UNIVERSITY OF NEW YORK (US) 1992-04-21 US disclosed