Water

Water

SCHEMBL1900782

O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[La+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 SCHEMBL20393989 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL9151463 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL5067331 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL72442 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL74669 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL12471279 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL6727854 0.94 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10867031 0.94 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL5576323 0.94 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10867036 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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118367123-A Ternary element co-modified lithium cobaltate positive electrode material and preparation method and application thereof 华南理工大学 2024-07-19 CN claimed
CN-114100578-B Preparation method and application of porous biochar loaded nano lanthanum/iron compound particle composite material 东北农业大学 2024-04-26 CN claimed
CN-114100578-A Preparation method and application of porous biochar loaded nano lanthanum/iron compound particle composite material 东北农业大学 2022-03-01 CN claimed
CN-112624202-A Preparation method of lanthanum ferrite gas-sensitive material with high specific surface area 中国计量大学 2021-04-09 CN claimed
EP-2249949-A2 HIGH TEMPERATURE CATALYST AND PROCESS FOR SELECTIVE CATALYTIC REDUCTION OF NOX IN EXHAUST GASES OF FOSSIL FUEL COMBUSTION Siemens Energy, Inc. (US) 2010-11-17 EP claimed
US-7695703-B2 High temperature catalyst and process for selective catalytic reduction of NOx in exhaust gases of fossil fuel combustion SIEMENS ENERGY, INC. (US) 2010-04-13 US claimed
WO-2009099426-A2 HIGH TEMPERATURE CATALYST AND PROCESS FOR SELECTIVE CATALYTIC REDUCTION OF NOX IN EXHAUST GASES OF FOSSIL FUEL COMBUSTION SIEMENS ENERGY, INC. (US) 2009-08-13 WO claimed
US-20090196813-A1 HIGH TEMPERATURE CATALYST AND PROCESS FOR SELECTIVE CATALYTIC REDUCTION OF NOX IN EXHAUST GASES OF FOSSIL FUEL COMBUSTION SIEMENS POWER GENERATION, INC. (US) 2009-08-06 US claimed
CN-120189971-A Aromatic hydrocarbon olefin removal catalyst and preparation method and application thereof 中海油天津化工研究设计院有限公司 2025-06-24 CN disclosed
CN-120004828-A Method for preparing gamma-butyrolactone by liquid phase dehydrogenation of 1, 4-butanediol 中国科学院大连化学物理研究所 2025-05-16 CN disclosed
CN-120001415-A Catalyst for removing olefin from reforming generated oil and preparation method thereof 中海油天津化工研究设计院有限公司 2025-05-16 CN disclosed
CN-119943969-A Preparation method of SOFC cathode material and connector coating material 安徽壹石通材料科技股份有限公司 2025-05-06 CN disclosed
CN-118367123-A Ternary element co-modified lithium cobaltate positive electrode material and preparation method and application thereof 华南理工大学 2024-07-19 CN disclosed
CN-114100578-B Preparation method and application of porous biochar loaded nano lanthanum/iron compound particle composite material 东北农业大学 2024-04-26 CN disclosed
US-4336323-A USING A PHOTOINSENSITIVE LAYER CONTAINING A DYE, AN ACID AND A BINDER FOR PHOTOTHERMOGRAPHIC PROCESSES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-06-22 US disclosed
EP-0041540-A1 COLOR IMAGING SYSTEM. MINNESOTA MINING & MFG (US) 1981-12-16 EP disclosed
EP-0041571-A1 LIGHT SENSITIVE, THERMALLY DEVELOPABLE IMAGING SYSTEM. MINNESOTA MINING & MFG (US) 1981-12-16 EP disclosed
EP-0041571-A4 LIGHT SENSITIVE, THERMALLY DEVELOPABLE IMAGING SYSTEM. MINNESOTA MINING & MFG (US) 1981-11-11 EP disclosed
WO-1981001757-A1 COLOR IMAGING SYSTEM MINNESOTA MINING & MFG (US) 1981-06-25 WO disclosed
WO-1981001755-A1 LIGHT SENSITIVE,THERMALLY DEVELOPABLE IMAGING SYSTEM MINNESOTA MINING & MFG (US) 1981-06-25 WO disclosed