Water

Water

SCHEMBL4368147

O.[Ta].[Ti]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL6755791 0.87
Water SCHEMBL23148243 0.87
Water SCHEMBL18978704 0.87
Water SCHEMBL23160951 0.87
Water SCHEMBL168325 0.82
Water SCHEMBL22471762 0.82
Water SCHEMBL9317662 0.82
Water SCHEMBL21358072 0.82
Water SCHEMBL10378772 0.82
Water SCHEMBL8669522 0.82

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3804005-B1 METAL OXIDE-BASED ELECTRODE COMPOSITIONS CAMBRIDGE ENTPR LTD (GB) 2023-07-19 EP claimed
US-20090088845-A1 TITANIUM TANTALUM OXYGEN ALLOYS FOR IMPLANTABLE MEDICAL DEVICES ABKOWITZ STANLEY 2009-04-02 US claimed
CN-1413269-A Forming TiO on material surface by plasma immersion ion injection method2-xMethod for producing thin film and use thereof UNIV SOUTHWEST JIAOTONG (CN) 2003-04-23 CN claimed
WO-2024126839-A1 NIOBIUM METAL OXIDE NYOBOLT LIMITED (GB) 2024-06-20 WO disclosed
WO-2024110483-A1 CHARGING AND DISCHARGING SYSTEM NYOBOLT LIMITED (GB) 2024-05-30 WO disclosed
EP-3804005-B1 METAL OXIDE-BASED ELECTRODE COMPOSITIONS CAMBRIDGE ENTPR LTD (GB) 2023-07-19 EP disclosed
WO-2023111339-A1 CHARGING DEVICE FOR BATTERIES NYOBOLT LIMITED (GB) 2023-06-22 WO disclosed
US-20210218075-A1 Metal Oxide-Based Electrode Compositions CAMBRIDGE ENTERPRISE LIMITED (GB) 2021-07-15 US disclosed
EP-3804005-A1 METAL OXIDE-BASED ELECTRODE COMPOSITIONS Cambridge Enterprise Limited (GB) 2021-04-14 EP disclosed
CN-1798878-B Electrode for electrochemical cell AKZO NOBEL NV 2010-10-13 CN disclosed
US-20090088845-A1 TITANIUM TANTALUM OXYGEN ALLOYS FOR IMPLANTABLE MEDICAL DEVICES ABKOWITZ STANLEY 2009-04-02 US disclosed
CN-1798878-A Electrode for electrochemical cell AKZO NOBEL NV (NL) 2006-07-05 CN disclosed
CN-1185509-C Optical element, metal mold for manufacturing optical element, and method for manufacturing optical element SONY CORP (JP) 2005-01-19 CN disclosed
CN-1553221-A Optical element, metal mold for producing optical element and production method for optical element ���ṫ˾ 2004-12-08 CN disclosed
CN-1398353-A Optical element, metal mold for manufacturing optical element, and method for manufacturing optical element SONY CORP (JP) 2003-02-19 CN disclosed