Water

Water

SCHEMBL229106

O.O.O.O.O.O.O=[N+]([O-])[O-].[Ni]

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 SCHEMBL218905 1.00
Water SCHEMBL11146310 1.00
Water SCHEMBL11778926 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL6142507 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10424730 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL987709 1.00
SCHEMBL8999403 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10566608 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2590832 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL1121202 0.94

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 15218 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176633-B Solar energy supply electro-catalytic AOR coupled biological denitrification full denitrification device and method Jiangxi Academy of eco environmental science and planning (CN) 2026-05-26 CN claimed
CN-122091550-A High-performance lithium ion battery anode material Si@void@C@NC and preparation method thereof 2026-05-26 CN claimed
CN-122079651-A Preparation method of ultrahigh-temperature ceramic nanowire reinforced ceramic matrix composite material 2026-05-26 CN claimed
CN-122076478-A High-entropy metaphosphate catalyst and preparation method and application thereof 2026-05-26 CN claimed
CN-122082029-A Heterogeneous type electrocatalytic NADH regeneration catalyst and preparation method and application 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-122076441-A Coal tar pitch-based nickel catalyst and preparation method and application thereof 2026-05-26 CN claimed
CN-119951576-B Hydrodenitrogenation catalyst, and preparation method and application thereof PETROCHINA COMPANY LIMITED (CN) 2026-05-26 CN claimed
CN-117806088-B Preparation method and application of nickel phosphate hydride electrochromic nanomaterial HENAN UNIVERSITY (CN) 2026-05-26 CN claimed
CN-121292981-B MBNS-GC-Ni2Si-reinforced double-phase SiC composite ceramic and preparation method thereof NANCHANG HANGKONG UNIVERSITY (CN) 2026-05-26 CN claimed
US-5182250-A Oxides of aluminum and group 6 and group 8 metals COSMO RESEARCH INSTITUTE (JP) 1993-01-26 US claimed
EP-0448117-A1 Process for producing a catalyst composition for hydrodesulphurization of hydrocarbon oil. COSMO RESEARCH INSTITUTE (JP) 1991-09-25 EP claimed
EP-0210001-A1 Process for polishing non-electrolysis nickel plate, alumite or aluminium surface of a memory hard disc FUJIMI KENMAZAI KOGYO KABUSHIKI KAISHA (JP) 1987-01-28 EP claimed
US-4585532-A Method for using anodes having NiCo2 O4 catalyst for the electrolysis of potassium hydroxide solutions and method of making an anode containing NiCo2 O4 catalyst INTERNATIONAL FUEL CELLS CORPORATION (US) 1986-04-29 US claimed
US-4402868-A ALKALI METAL PROMOTED NICKEL URANATE-NICKEL OXIDE TEXACO INC. (US) 1983-09-06 US claimed
US-RE30430-E Catalyst treatment DENKA CHEMICAL CORPORATION (US) 1980-11-04 US claimed
US-4140551-A Low temperature microcrystalline zinc phosphate coatings, compositions, and processes for using and preparing the same HEATBATH CORPORATION (US) 1979-02-20 US claimed
US-4006168-A Catalyst treatment PETRO-TEX CHEMICAL CORPORATION (US) 1977-02-01 US claimed
US-3992270-A IRON, NITRIC ACID LIXIVIATION IMETAL (FR) 1976-11-16 US claimed
US-3959180-A Method for catalyst preparation SHELL OIL COMPANY (US) 1976-05-25 US claimed