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.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL6226530 | 1.00 | LMNA (0.30) | — | |
| Water SCHEMBL3651763 | 1.00 | LMNA (0.30) | — | |
| Water SCHEMBL6740576 | 1.00 | LMNA (0.30) | — | |
| Water SCHEMBL10439033 | 1.00 | — | — | |
| Water SCHEMBL61018 | 1.00 | — | — | |
| Water SCHEMBL7159956 | 0.95 | — | — | |
| Water SCHEMBL10896513 | 0.95 | — | — | |
| Water SCHEMBL1946236 | 0.95 | — | — | |
| Water SCHEMBL37908 | 0.95 | — | — | |
| Water SCHEMBL21333 | 0.95 | — | — |
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 1363 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458960-A | Iodine (III) -mediated radiofluorination | 通用医疗公司 | 2017-02-22 | — | — | CN | claimed |
| CN-104880477-A | X fluorescence joint measurement analysis method for multiple elements in mixed copper concentrate | JINCHUAN GROUP CO LTD | 2015-09-02 | — | — | CN | claimed |
| EP-0850292-B2 | COLOUR TRANSFER-INHIBITING WASHING AGENT | HENKEL AG & CO KGAA (DE) | 2010-12-29 | — | — | EP | claimed |
| US-20090042764-A1 | Cleaning Agent Comprising Complexes with Bleach Catalytic Activity | HENKEL AG & CO. KGAA (DE) | 2009-02-12 | — | — | US | claimed |
| CN-100390259-C | Metal ligand containing bleaching compositions | UNIV CARNEGIE MELLON (US) | 2008-05-28 | — | — | CN | claimed |
| US-7371714-B2 | Chemical agent decontamination composition comprising a perfluorinated alkyl bromide | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2008-05-13 | — | — | US | claimed |
| US-20080085848-A1 | CHEMICAL AGENT DECONTAMINATION COMPOSITION COMPRISING A PERFLUORINATED ALKYL BROMIDE | ARMY, UNITED STATES | 2008-04-10 | — | — | US | claimed |
| CN-100352902-C | Metal ligand containing bleaching composition | UNIV CARNEGIE MELLON (US) | 2007-12-05 | — | — | CN | claimed |
| EP-1859017-A1 | IMPROVEMENTS IN OR RELATING TO CLEANING COMPOSITIONS | Reckitt Benckiser Inc. (US) | 2007-11-28 | — | — | EP | claimed |
| US-7256167-B2 | Hard surface cleaner comprising suspended particles and oxidizing agent | RECKITT BENCKISER INC. (US) | 2007-08-14 | — | — | US | claimed |
| EP-0295950-A1 | Process for the manufacture of granular monohydrated sodium perborate | AUSIMONT S.p.A. (IT) | 1988-12-21 | — | — | EP | claimed |
| EP-0042187-B2 | DETERGENT COMPOSITION CONTAINING LOW LEVEL OF SUBSTITUTED POLYAMINES | THE PROCTER & GAMBLE COMPANY (US) | 1988-09-28 | — | — | EP | claimed |
| EP-0267048-A2 | Peroxyacids, phenoxyacetate peracid precursors and perhydrolysis system | The Clorox Company (US) | 1988-05-11 | — | — | EP | claimed |
| US-4663068-A | N,N,N',N'-TETRAACETYL ETHYLENEDIAMINE AND SODIUM PERBORATE TETRAHYDRATE | LEVER BROTHERS COMPANY (US) | 1987-05-05 | — | — | US | claimed |
| EP-0202519-A1 | Process for the production of granular sodium perborate monohydrate having good mechanical strength | AUSIMONT S.p.A. (IT) | 1986-11-26 | — | — | EP | claimed |
| EP-0042187-B1 | DETERGENT COMPOSITION CONTAINING LOW LEVEL OF SUBSTITUTED POLYAMINES | THE PROCTER & GAMBLE COMPANY (US) | 1984-07-25 | — | — | EP | claimed |
| EP-0042187-A1 | Detergent composition containing low level of substituted polyamines | THE PROCTER & GAMBLE COMPANY (US) | 1981-12-23 | — | — | EP | claimed |
| US-4174418-A | Antibacterial textile finishes utilizing zironyl acetate complexes of inorganic peroxides | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1979-11-13 | — | — | US | claimed |
| US-4115422-A | ANTIBACTERIAL TEXTILE FINISHES UTILIZING ZIRCONYL ACETATE COMPLEXES OF INORGANIC PEROXIDES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1978-09-19 | — | — | US | claimed |
| US-3985862-A | REACTING AQUEOUS SODIUM METABORATE AND HYDROGEN PEROXIDE; CRYSTALLIZATION OF SODIUM PERBORATE TETRAHYDRATE | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1976-10-12 | — | — | US | claimed |