Water

Water

SCHEMBL221658

O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[O-2].[Zr+4]

nearest known ligand 0.60

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 0.60
KMT2A Q03164 1/20 0.60
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33

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 SCHEMBL7523838 1.00 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL6032790 1.00 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2591140 1.00 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL504455 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL17763247 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1902538 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2719910 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL29226893 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL585780 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1801747 0.94 MEN1 (0.67) 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359270-B2 Treating of catalyst support VELOCYS TECHNOLOGIES LIMITED (GB) 2016-06-07 US claimed
US-20150202613-A1 TREATING OF CATALYST SUPPORT VELOCYS TECHMOLOGIES LTD (GB) 2015-07-23 US claimed
WO-2014023955-A2 TREATING OF CATALYST SUPPORT VELOCYS TECHNOLOGIES LIMITED (GB) 2014-02-13 WO claimed
US-20140045953-A1 TREATING OF CATALYST SUPPORT OXFORD CATALYSTS LIMITED (GB) 2014-02-13 US claimed
EP-2079545-B1 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF UNIV BAR ILAN (IL) 2013-11-06 EP claimed
US-8142938-B2 Porous clusters of silver powder promoted by zirconium oxide for use as a catalyst in gas diffusion electrodes, and method for the production thereof BAR ILAN UNIVERSITY (IL) 2012-03-27 US claimed
JP-2011507695-A 2011-03-10 JP claimed
US-20100274039-A1 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG CHEM, LTD. (KR) 2010-10-28 US claimed
EP-2231327-A2 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG Chem, Ltd. (KR) 2010-09-29 EP claimed
US-20100143807-A1 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF BAR ILAN UNIVERSITY (IL) 2010-06-10 US claimed
EP-2079545-A2 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF Bar-Ilan University (IL) 2009-07-22 EP claimed
WO-2009084862-A2 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS LG CHEM, LTD. (KR) 2009-07-09 WO claimed
WO-2008036962-A2 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF BAR ILAN UNIVERSITY (IL) 2008-03-27 WO claimed
US-6110859-A Hybrid catalyst system for converting hydrocarbons and a method of making and using such catalyst system PHILLIPS PETROLEUM COMPANY (US) 2000-08-29 US claimed
US-6090992-A COMPRISING ALUMINA, AT LEAST ONE CARBURIZED TRANSITION METAL, AND AT LEAST ONE HALOGEN COMPONENT. PHILLIPS PETROLEUM COMPANY (US) 2000-07-18 US claimed
CN-118904347-A Anti-carbon nickel-based catalyst for dry reforming of methane and carbon dioxide, preparation method and application thereof 广州大学 2024-11-08 CN disclosed
EP-3031954-B1 ARTICLES FOR HIGH TEMPERATURE SERVICE GEN ELECTRIC (US) 2019-06-26 EP disclosed
WO-2008036962-A2 POROUS CLUSTERS OF SILVER POWDER PROMOTED BY ZIRCONIUM OXIDE FOR USE AS A CATALYST IN GAS DIFFUSION ELECTRODES, AND METHOD FOR THE PRODUCTION THEREOF BAR ILAN UNIVERSITY (IL) 2008-03-27 WO disclosed
US-6110859-A Hybrid catalyst system for converting hydrocarbons and a method of making and using such catalyst system PHILLIPS PETROLEUM COMPANY (US) 2000-08-29 US disclosed
US-6090992-A COMPRISING ALUMINA, AT LEAST ONE CARBURIZED TRANSITION METAL, AND AT LEAST ONE HALOGEN COMPONENT. PHILLIPS PETROLEUM COMPANY (US) 2000-07-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100274039-A1 CATALYST COMPOSITION INCLUDING ZIRCONIUM COMPOUNDS FOR ESTERFICATION REACTION AND METHOD FOR PREPARING ESTER COMPOUNDS ZDHHC9, ZDHHC7, CETP MEN1 2440/4885KMT2A 542/4885CA5A 533/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.