Water

Water

SCHEMBL4378846

O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+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 SCHEMBL9150589 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL4375705 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL15068042 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL719719 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2025101 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1653807 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL7264813 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL194819 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL60878 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL22204649 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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250297983-A1 METHOD FOR MANUFACTURING PALM TRUNK-LIKE HIERARCHICAL NANOSTRUCTURE AND PALM TRUNK-LIKE HIERARCHICAL NANOSTRUCTURE MANUFACTURED THEREBY PUKYONG NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2025-09-25 US claimed
CN-120158930-A Polyethylene non-woven fabric with antibacterial and radiation refrigerating functions and preparation method thereof 东华大学 2025-06-17 CN claimed
CN-120022378-A Application of crystalline porous material in preparation of blood anticoagulant 理工清科(北京)科技有限公司 2025-05-23 CN claimed
CN-117696027-A Selective adsorption material for oil and phenol in coal chemical industry wastewater and preparation method thereof 西安建筑科技大学 2024-03-15 CN claimed
CN-117696036-A Regeneration method of selective adsorption material for oil and phenol in coal chemical industry wastewater 西安建筑科技大学 2024-03-15 CN claimed
CN-114870035-B Method for loading p53 gene on ZIF-8 metal organic framework 吉林医药学院(CN) 2023-01-13 CN claimed
CN-114870035-A Method for loading p53 gene on metal organic framework ZIF-8 吉林医药学院 2022-08-09 CN claimed
CN-111909386-B Conjugated polymer-organic metal framework composite nano material and preparation method thereof 南京邮电大学 2022-05-24 CN claimed
CN-111592661-B Preparation method of high-dispersity organic metal framework nano material 南京邮电大学 2022-03-04 CN claimed
CN-112331868-A Iron-nitrogen-doped core-shell carbon sphere material and preparation method thereof 五邑大学 2021-02-05 CN claimed
CN-111909386-A Conjugated polymer-organic metal framework composite nano material and preparation method thereof 南京邮电大学 2020-11-10 CN claimed
CN-110395761-B Surface cobalt-doped zinc oxide composite material and preparation method and application thereof 北京化工大学 2020-09-04 CN claimed
CN-111592661-A Preparation method of high-dispersity organic metal framework nano material 南京邮电大学 2020-08-28 CN claimed
CN-106872389-B Method for carrying out SEIRAS detection by adopting nano-grade aluminum-doped zinc oxide as substrate 吉林大学 2019-12-27 CN claimed
US-20250297983-A1 METHOD FOR MANUFACTURING PALM TRUNK-LIKE HIERARCHICAL NANOSTRUCTURE AND PALM TRUNK-LIKE HIERARCHICAL NANOSTRUCTURE MANUFACTURED THEREBY PUKYONG NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2025-09-25 US disclosed
CN-120158930-A Polyethylene non-woven fabric with antibacterial and radiation refrigerating functions and preparation method thereof 东华大学 2025-06-17 CN disclosed
CN-120022378-A Application of crystalline porous material in preparation of blood anticoagulant 理工清科(北京)科技有限公司 2025-05-23 CN disclosed
EP-1889952-A1 Method for forming surface-treating film KANSAI PAINT CO., LTD. (JP) 2008-02-20 EP disclosed
US-20080038545-A1 Method for forming surface-treating film TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2008-02-14 US disclosed
EP-1884579-A1 Method for forming surface-treating film KANSAI PAINT CO., LTD. (JP) 2008-02-06 EP disclosed