Water

Water

SCHEMBL5067331

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 SCHEMBL1900782 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119430524-A Ecological rural ditch nitrogen and phosphorus interception system and method 长江水利水电开发集团(湖北)有限公司 2025-02-14 CN claimed
CN-116283276-B La-Sn co-doped bismuth titanate-based ferroelectric film and preparation method thereof 广西华锡集团股份有限公司 2024-02-06 CN claimed
CN-114133929-B Method for preparing doped scheelite-like nano fluorescent particles by sol-gel method 国网浙江省电力有限公司双创中心 2023-09-22 CN claimed
CN-116283276-A La-Sn co-doped bismuth titanate-based ferroelectric film and preparation method thereof 广西华锡集团股份有限公司 2023-06-23 CN claimed
CN-114133929-A Method for preparing doped scheelite-type nano fluorescent particles by sol-gel method 国网浙江省电力有限公司双创中心 2022-03-04 CN claimed
CN-121181036-A Preparation method and application of spinel phase lanthanum doped cobalt manganese oxide 华东理工大学 2025-12-23 CN disclosed
CN-119430524-A Ecological rural ditch nitrogen and phosphorus interception system and method 长江水利水电开发集团(湖北)有限公司 2025-02-14 CN disclosed
CN-118079928-A Hydrophobic methanol synthesis catalyst and preparation method thereof 浙江绿色智行科创有限公司 2024-05-28 CN disclosed
CN-116283276-B La-Sn co-doped bismuth titanate-based ferroelectric film and preparation method thereof 广西华锡集团股份有限公司 2024-02-06 CN disclosed
CN-114133929-B Method for preparing doped scheelite-like nano fluorescent particles by sol-gel method 国网浙江省电力有限公司双创中心 2023-09-22 CN disclosed
CN-116283276-A La-Sn co-doped bismuth titanate-based ferroelectric film and preparation method thereof 广西华锡集团股份有限公司 2023-06-23 CN disclosed
CN-114133929-A Method for preparing doped scheelite-type nano fluorescent particles by sol-gel method 国网浙江省电力有限公司双创中心 2022-03-04 CN disclosed
EP-1113991-B1 FORMATION OF COMBINATORIAL ARRAYS OF MATERIALS USING SOLUTION-BASED METHODOLOGIES SYMYX TECHNOLOGIES INC (US) 2004-06-09 EP disclosed
US-20030219906-A1 Formation of combinatorial arrays of materials using solution-based methodologies SYMYX TECHNOLOGIES, INC. 2003-11-27 US disclosed
EP-0792331-B1 MODIFIED SOL-GEL ALUMINA SAINT GOBAIN NORTON IND CERAMI (US) 1999-04-07 EP disclosed
EP-0792331-A1 MODIFIED SOL-GEL ALUMINA Saint-Gobain/Norton Industrial Ceramics Corporation (US) 1997-09-03 EP disclosed
US-5527369-A FORMING ABRASIVE GRITS CONTAINING YTTRIA AND RARE EARTH OXIDES SAINT-GOBAIN/NORTON INDUSTRIAL CERAMICS CORP. (US) 1996-06-18 US disclosed
WO-1996016138-A1 MODIFIED SOL-GEL ALUMINA SAINT-GOBAIN/NORTON INDUSTRIAL CERAMICS CORPORATION (US) 1996-05-30 WO disclosed
US-5297438-A Piezoresistive sensor ALFRED UNIVERSITY (US) 1994-03-29 US disclosed
US-5225126-A Piezoresistive sensor ALFRED UNIVERSITY (US) 1993-07-06 US disclosed