Water

Water

SCHEMBL584669

O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Y+3]

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 SCHEMBL9636378 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1069416 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1303659 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL15021246 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL235159 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL23854749 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL651561 0.94 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL82597 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10566608 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL5828494 0.94 MEN1 (0.75) 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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042710-A1 METHOD FOR PRODUCING ZIRCONIA POWDER CONTAINING MULTIPLE RARE EARTH ELEMENTS NAT CHUNG SHAN INST SCIENCE & TECH (TW) 2026-02-12 US claimed
CN-117878261-A Yttrium-containing compound modified lithium ion battery positive electrode material, and preparation method and application thereof 哈尔滨工业大学 2024-04-12 CN claimed
CN-117357695-A Preparation method of long-acting antibacterial nano hamburger composite bone filling material 西安理工大学 2024-01-09 CN claimed
US-10557099-B2 Oil based product for treating vanadium rich oils GENERAL ELECTRIC COMPANY (US) 2020-02-11 US claimed
US-20170253821-A1 PROCESSES, GAS TURBINE PROCESSES, AND FUEL COMPOSITIONS GENERAL ELECTRIC COMPANY 2017-09-07 US claimed
US-20140183415-A1 Graphene-Based Composite and Method of Preparing the Same CHEIL INDUSTRIES INC. (KR) 2014-07-03 US claimed
EP-0358530-B1 Novel method for producing ceramic bodies DOW CHEMICAL CO (US) 1994-04-20 EP claimed
US-5145833-A Superconductor, yttrium-barium-copper oxide, compression, isostatic pressing THE DOW CHEMICAL COMPANY (US) 1992-09-08 US claimed
WO-1990002715-A1 NOVEL METHOD FOR PRODUCING CERAMIC BODIES THE DOW CHEMICAL COMPANY (US) 1990-03-22 WO claimed
EP-0358530-A2 Novel method for producing ceramic bodies THE DOW CHEMICAL COMPANY (US) 1990-03-14 EP claimed
CN-122079068-A Application of Ni-based catalyst in CO poisoning resistant hydrogenation reaction of liquid organic hydrogen carrier 2026-05-26 CN disclosed
US-20260042710-A1 METHOD FOR PRODUCING ZIRCONIA POWDER CONTAINING MULTIPLE RARE EARTH ELEMENTS NAT CHUNG SHAN INST SCIENCE & TECH (TW) 2026-02-12 US disclosed
CN-120191967-A Manganese-based layered oxide positive electrode material and preparation method and application thereof 西华师范大学 2025-06-24 CN disclosed
CN-118904348-A Low-temperature high-activity high-selectivity CO2Integral reverse phase Ni-based catalyst for preparing methane by hydrogenation, and preparation method and application thereof 浙江工业大学 2024-11-08 CN disclosed
EP-2991763-B1 OXIDATIVE ESTERIFICATION CATALYST ROHM & HAAS (US) 2024-10-09 EP disclosed
US-5157015-A Process for preparing superconducting films by radio-frequency generated aerosol-plasma deposition in atmosphere ALFRED UNIVERSITY (US) 1992-10-20 US disclosed
US-5145833-A Superconductor, yttrium-barium-copper oxide, compression, isostatic pressing THE DOW CHEMICAL COMPANY (US) 1992-09-08 US disclosed
US-5120703-A Process for preparing oxide superconducting films by radio-frequency generated aerosol-plasma deposition in atmosphere ALFRED UNIVERSITY (US) 1992-06-09 US disclosed
WO-1990002715-A1 NOVEL METHOD FOR PRODUCING CERAMIC BODIES THE DOW CHEMICAL COMPANY (US) 1990-03-22 WO disclosed
EP-0358530-A2 Novel method for producing ceramic bodies THE DOW CHEMICAL COMPANY (US) 1990-03-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260042710-A1 METHOD FOR PRODUCING ZIRCONIA POWDER CONTAINING MULTIPLE RARE EARTH ELEMENTS ZRANB2, SON, PIEZO1 MEN1 3637/4885KMT2A 4054/4885CA5A 251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.