Water

Water

SCHEMBL4375705

O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+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 SCHEMBL9150589 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL15068042 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL719719 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2025101 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL4378846 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1653807 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL7264813 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL194819 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL60878 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL22204649 0.94 MEN1 (0.60) 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 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257291-A1 PARTICULATE LAUNDRY SCENT ADDITIVE COMPRISING A PERFUME/WATER-SOLUBLE POLYMER/SALT HYDRATE MATRIX PROCTER & GAMBLE (US) 2025-08-14 US claimed
US-12312567-B2 Particulate laundry scent additive comprising a polyethylene glycol/ethoxylated alcohol polymer composition THE PROCTER & GAMBLE COMPANY (US) 2025-05-27 US claimed
CN-118121754-A Composite hydrogel capable of promoting osteogenic differentiation and preparation method thereof 海南合美医疗器械有限公司 2024-06-04 CN claimed
US-20230054402-A1 PARTICULATE LAUNDRY SCENT ADDITIVE THE PROCTER & GAMBLE COMPANY 2023-02-23 US claimed
US-20230016535-A1 MASS FOR CAPTURING MERCAPTANS WHICH IS PREPARED USING MOLTEN SALTS IFP Energies Nouvelles (FR) 2023-01-19 US claimed
EP-4077592-A1 MASS FOR CAPTURING MERCAPTANS WHICH IS PREPARED USING MOLTEN SALTS IFP Energies nouvelles (FR) 2022-10-26 EP claimed
CN-114829551-A Substance for capturing mercaptans produced using molten salts IFP 新能源公司 2022-07-29 CN claimed
WO-2021217171-A1 PARTICULATE LAUNDRY SCENT ADDITIVE THE PROCTER & GAMBLE COMPANY (US) 2021-10-28 WO claimed
EP-3901238-A1 PARTICULATE LAUNDRY SCENT ADDITIVE The Procter & Gamble Company (US) 2021-10-27 EP claimed
CN-109167071-B Electrode for all-vanadium redox flow battery and preparation method thereof 深圳大学 2021-09-07 CN claimed
CN-109267145-A A kind of four acid anhydrides Zn-MOF crystalline material of naphthalene and its preparation method and application 济南大学 2019-01-25 CN claimed
CN-109167071-A A kind of cathode for whole vanadium oxide reduction flow battery and preparation method thereof 深圳大学 2019-01-08 CN claimed
CN-102092768-A Method for preparing zinc nitrate and hydrate thereof from sodium hydrosulfite filter residues JIAXING WANG 2011-06-15 CN claimed
US-5302763-A Reacting toluene with nitric acid in presence of hydrated nitrate salts to reduce hazard of detonation OLIN CORPORATION (US) 1994-04-12 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-0117613-B1 DISPOSABLE ABSORBENT ARTICLE INCORPORATING AGENTS FOR THE TREATMENT AND PROPHYLAXIS OF DIAPER RASH AND DIAPER DERMATITIS THE PROCTER & GAMBLE COMPANY (US) 1990-06-06 EP claimed
US-4917812-A HIGH SHEAR MIXING OF SILICATES, ZINC SALTS, BLEACH AND SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 1990-04-17 US claimed
US-4556560-A TOPICAL APPLICATION OF KIPASE INHIBITING WATER SOLUBLE SALT THE PROCTER & GAMBLE COMPANY (US) 1985-12-03 US claimed
EP-0117613-A2 Disposable absorbent article incorporating agents for the treatment and prophylaxis of diaper rash and diaper dermatitis THE PROCTER & GAMBLE COMPANY (US) 1984-09-05 EP claimed