Water

Water

SCHEMBL219368

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

nearest known ligand 0.67

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 0.67
KMT2A Q03164 1/20 0.67
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36

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 SCHEMBL6346899 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL6221351 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28315089 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL94658 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL6038352 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL16334813 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL4176811 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL8961675 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1982246 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL9755739 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4717726-A1 ADHESION CONTROL OF HYDROGEL Daegu Gyeongbuk Institute of Science and Technology (KR) 2026-04-01 EP claimed
US-12415735-B2 Sol-gel material, and use thereof TECHNOLOGICAL UNIVERSITY DUBLIN (IE) 2025-09-16 US claimed
US-20250171674-A1 LIGHT-ABSORBING HEAT-STORAGE COMPOSITE MATERIAL AND PREPARATION METHOD THEREOF SHANXI SANSHUI ENERGY CO LTD (CN) 2025-05-29 US claimed
CN-119842367-A Hydrated salt phase-change gel material, wearable device and preparation method 华南理工大学 2025-04-18 CN claimed
CN-119656333-A Magnesium-containing mesoporous active bioglass with medicine slow release, immune regulation and bone metabolism regulation effects and application thereof 上海交通大学医学院附属仁济医院 2025-03-21 CN claimed
CN-119633131-A Bioglass composite material for treating rheumatoid arthritis through targeting macrophage and photo-acoustic/fluorescent dual-mode tracing 上海交通大学医学院附属仁济医院 2025-03-18 CN claimed
CN-119591473-A Method for synthesizing glycol from hemicellulose 福州大学 2025-03-11 CN claimed
CN-119193114-A Salt light absorbing material and photo-thermal energy storage integrated device 北京聚能石科技有限公司 2024-12-27 CN claimed
WO-2024242540-A1 ADHESION CONTROL OF HYDROGEL 재단법인대구경북과학기술원 2024-11-28 WO claimed
CN-118771468-A Preparation method and application of multielement bulk phase doped modified lithium nickel manganese oxide positive electrode material 中国科学院金属研究所 2024-10-15 CN claimed
WO-1992011228-A1 A PROCESS FOR PREPARING DINITROTOLUENE OLIN CORPORATION (US) 1992-07-09 WO claimed
US-5099078-A Process for preparing dinitrotoluene OLIN CORPORATION (US) 1992-03-24 US claimed
US-5099079-A PROCESS FOR SEPARATING ACID FROM NITRO SUBSTITUTED AROMATICS USING A MOLTEN NITRATE SALT OLIN CORPORATION (US) 1992-03-24 US claimed
WO-1992001666-A1 A PROCESS FOR SEPARATING ACID FROM NITRO SUBSTITUTED AROMATICS USING A MOLTEN NITRATE SALT OLIN CORPORATION (US) 1992-02-06 WO claimed
EP-0213010-B1 METHOD OF THE PREPARATION OF A CERAMIC CORDIERITE POWDER SINTERABLE AT LOW TEMPERATURES, POWDER OBTAINABLE BY THE METHOD AND CERAMIC COMPOSITION OBTAINED BY SINTERING THE POWDER Etablissement Public dit: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1990-09-26 EP claimed
EP-0078197-B1 MECHANICALLY AND THERMALLY RESISTANT CERAMIC COMPOSITE MATERIALS AND THEIR MANUFACTURE Office National d'Etudes et de Recherches Aérospatiales (O.N.E.R.A.) (FR) 1985-08-07 EP claimed
US-4461842-A SUBSTRATE OF WOVEN CERAMIC FIBERS AND MATRIX OF SILICA, CHROMIC OR MAGNESIUM OXIDE WITH REINFORCING POLYMER OFFICE NATIONAL D'ETUDES ET DE RECHERCHES AEROSPATIALES (PAR ABREVIATION O.N.E.R.A.) (FR) 1984-07-24 US claimed
US-4201750-A ROASTING TREATING WITH A MINERAL ACID, SEPARATING SOLUTION OF MAGNESIUM SALTS FROM INSOLUBLE IMPURITIES ENGELHARD MINERALS & CHEMICALS CORPORATION (US) 1980-05-06 US claimed
US-4174228-A SPRAYABLE FIREPROOFING MATERIAL PPG INDUSTRIES, INC. (US) 1979-11-13 US claimed
US-4174229-A SPRAYABLE FIREPROOFING MATERIAL PPG INDUSTRIES, INC. (US) 1979-11-13 US claimed