Water

Water

SCHEMBL94658

O.O.O.O.O.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 SCHEMBL219368 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
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 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

Appears in 8952 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079684-A Application of bio-organic fertilizer produced by utilizing sugar industry byproducts in improving tomato yield and/or quality 2026-05-26 CN claimed
CN-122095470-A Negative electrode, method for manufacturing the same, and all-solid-state battery including the same 2026-05-26 CN claimed
CN-122080864-A Packaging and forming method of inorganic solid-liquid phase-change material 2026-05-26 CN claimed
CN-122080464-A Modified sodium carboxymethyl cellulose and preparation method thereof 2026-05-26 CN claimed
CN-122080539-A Flame-retardant ethylene propylene rubber insulating material and preparation method thereof 2026-05-26 CN claimed
CN-121318394-B Refractory ceramic-based material for smelting furnace lining and preparation method thereof Jinzhou Changcheng Technology Group Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-122091323-A High-temperature-resistant cable for charging pile and preparation method thereof 2026-05-26 CN claimed
CN-116920734-B Aerogel with effect of entrapping fumigant as well as preparation method and application thereof JIANGSU XINYUAN TOBACCO SLICE Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-119361773-B Porous polyether sulfone/layered double hydroxide nano-sheet composite anion exchange membrane and preparation method and application thereof 西安交通大学 2026-05-22 CN claimed
CN-122071627-A Ultrahigh-temperature low-viscosity cutting agent for water-based drilling fluid and method 中国石油天然气股份有限公司 2026-05-22 CN claimed
US-4505953-A COATING COMPACTED POWDER WITH LIQUID, AND CURING PENNWALT CORPORATION (US) 1985-03-19 US claimed
US-4504402-A Encapsulated phase change thermal energy _storage materials PENNWALT CORPORATION (US) 1985-03-12 US claimed
US-4474171-A Solar energy system with static heat-storage device CAPROON DOUGLAS M 1984-10-02 US claimed
US-4438083-A Process for preparing magnesium nitrate hexahydrate and for thermally stabilizing ammonium nitrate using magnesium nitrate hexahydrate STAMICARBON B.V. (NL) 1984-03-20 US claimed
EP-0075354-A1 Process for the preparation of magnesium nitrate hexahydrate UNIE VAN KUNSTMESTFABRIEKEN B.V. (NL) 1983-03-30 EP claimed
US-4331556-A MELTS, CRYSTAL GROWTH INHIBITORS KAY LABORATORIES, INC. (US) 1982-05-25 US claimed
US-4072055-A Visual-type temperature-responsive device ELLIOTT STANLEY B 1978-02-07 US claimed
US-4071605-A Process for the production of dibasic magnesium hypochlorite OLIN CORPORATION (US) 1978-01-31 US claimed
US-4055191-A Tobacco composition LIGGETT & MYERS INCORPORATED (US) 1977-10-25 US claimed
US-4020210-A Encapsulated water paper XEROX CORPORATION (US) 1977-04-26 US claimed