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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL33398 | 0.91 | — | — | |
| Zinc Ion SCHEMBL42548 | 0.83 | — | — | |
| Water SCHEMBL7133881 | 0.83 | — | — | |
| Water SCHEMBL5049057 | 0.83 | — | — | |
| Water SCHEMBL25317838 | 0.83 | — | — | |
| Zinc Ion SCHEMBL23036018 | 0.83 | — | — | |
| Water SCHEMBL16224274 | 0.83 | — | — | |
| Water SCHEMBL25316651 | 0.83 | — | — | |
| Zinc Ion SCHEMBL2545169 | 0.83 | — | — | |
| Zinc Ion SCHEMBL1774075 | 0.83 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1112964-B1 | ZINC OXIDE PARTICLES HAVING SUPPRESSED SURFACE ACTIVITY AND PRODUCTION AND USE THEREOF | SAKAI CHEMICAL INDUSTRY CO (JP) | 2017-02-22 | — | — | EP | disclosed |
| CN-101573418-A | Coating compositions exhibiting corrosion resistance properties, related coated substrates and methods | PPG IND OHIO INC (US) | 2009-11-04 | — | — | CN | disclosed |
| US-6660380-B1 | Zinc oxide particles having suppressed surface activity and production and use thereof | SAKAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-12-09 | — | — | US | disclosed |
| EP-1112964-A1 | ZINC OXIDE PARTICLES HAVING SUPPRESSED SURFACE ACTIVITY AND PRODUCTION AND USE THEREOF | SAKAI CHEMICAL INDUSTRIAL COMPANY LTD. (JP) | 2001-07-04 | — | — | EP | disclosed |
| US-6040372-A | Hydrated zinc stannate sols, coating compositions and optical elements | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-21 | — | — | US | disclosed |
| US-6001164-A | AS MICROFILLERS TO BE USED AS HARD COATING AGENT WITH HIGH REFRACTIVE INDEX TO BE APPLIED ON SURFACE OF PLASTIC LENSES, FILMS OR PLASTIC MOLDED PRODUCTS, OR MAY BE MIXED WITH VARIOUS RESIN EMULSIONS FOR USE AS FLAME RETARDANTS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1999-12-14 | — | — | US | disclosed |
| EP-0748768-A1 | Hydrated zinc stannate sols, coating compositions and optical elements | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1996-12-18 | — | — | EP | disclosed |
| US-4053552-A | LEACHING, SOLVENT EXTRACTION WITH AN ORGANO ACID PHOSPHATE; HYDROMETALLURGICAL PURIFICATION | GENERAL MILLS CHEMICALS CO. (US) | 1977-10-11 | — | — | US | disclosed |