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 SCHEMBL1898764 | 1.00 | — | — | |
| Water SCHEMBL27362890 | 1.00 | — | — | |
| Water SCHEMBL1598810 | 1.00 | — | — | |
| Water SCHEMBL1599688 | 0.87 | — | — | |
| Water SCHEMBL28154539 | 0.87 | — | — | |
| Fluoride SCHEMBL23456586 | 0.87 | — | — | |
| Water SCHEMBL23456636 | 0.87 | — | — | |
| Water SCHEMBL22634203 | 0.87 | — | — | |
| Water SCHEMBL20959670 | 0.87 | — | — | |
| Water SCHEMBL27736166 | 0.87 | — | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111777497-B | Method for preparing 4-oxo-isophorone by catalytic oxidation of beta-isophorone | 万华化学集团股份有限公司 | 2022-07-12 | — | — | CN | claimed |
| CN-111777497-A | Method for preparing 4-oxo-isophorone by catalytic oxidation of beta-isophorone | 万华化学集团股份有限公司 | 2020-10-16 | — | — | CN | claimed |
| US-8932887-B2 | Method for manufacturing LED with transparent ceramics | BRIGHT CRYSTALS TECHNOLOGY, INC. (CN) | 2015-01-13 | — | — | US | claimed |
| CN-102272075-B | Method of impregnating crucibles and refractory articles | ZIRCOA INC | 2013-08-28 | — | — | CN | claimed |
| CN-102272075-A | Method of impregnating crucibles and refractory articles | — | 2011-12-07 | — | — | CN | claimed |
| CN-118320730-A | Reaction device and method for synthesizing tea-flavored ketone | 山东富宇石化有限公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-111777497-B | Method for preparing 4-oxo-isophorone by catalytic oxidation of beta-isophorone | 万华化学集团股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-111777497-B | Method for preparing 4-oxo-isophorone by catalytic oxidation of beta-isophorone | 万华化学集团股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-114436327-A | Zirconium dioxide nanometer hollow wire, preparation method thereof and heat insulation felt | 中国建筑材料科学研究总院有限公司 | 2022-05-06 | — | — | CN | disclosed |
| CN-111777497-A | Method for preparing 4-oxo-isophorone by catalytic oxidation of beta-isophorone | 万华化学集团股份有限公司 | 2020-10-16 | — | — | CN | disclosed |
| CN-111777497-A | Method for preparing 4-oxo-isophorone by catalytic oxidation of beta-isophorone | 万华化学集团股份有限公司 | 2020-10-16 | — | — | CN | disclosed |
| EP-2865655-B1 | Refractory materials | CORNING INC (US) | 2017-07-26 | — | — | EP | disclosed |
| WO-2006073841-A9 | REFRACTORY MATERIALS | CORNING INC (US) | 2006-10-12 | — | — | WO | disclosed |
| WO-2006073841-A1 | REFRACTORY MATERIALS | CORNING INCORPORATED (US) | 2006-07-13 | — | — | WO | disclosed |
| CN-1636939-A | Method of deagglomerating ceramic powder, deagglomeration mill used therefor and method of preparing highly dispersed slurry using the deagglomerated powder | SAMSUNG ELECTRO MECH (KR) | 2005-07-13 | — | — | CN | disclosed |
| CN-1069846-C | Sol-gel method for preparing yttrium oxide blended zirconium oxide ceramic micro filter film | CHINA SCI & TECH UNIV (CN) | 2001-08-22 | — | — | CN | disclosed |
| CN-1109381-A | Sol-gel method for preparing yttrium oxide blended zirconium oxide ceramic micro filter film | CHINA SCIENCE AND TECHNIC UNIV (CN) | 1995-10-04 | — | — | CN | disclosed |
| EP-0422665-B1 | Air/fuel ratio sensor | NGK SPARK PLUG CO (JP) | 1995-08-23 | — | — | EP | disclosed |
| US-5174885-A | Quick response, stable limiting current even in atmosphere including no oxides | NGK SPARK PLUG CO. LTD. (JP) | 1992-12-29 | — | — | US | disclosed |
| EP-0422665-A2 | Air/fuel ratio sensor | NGK Spark Plug Co. Ltd. (JP) | 1991-04-17 | — | — | EP | disclosed |