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 SCHEMBL10535137 | 1.00 | — | — | |
| Water SCHEMBL21112981 | 0.87 | — | — | |
| Water SCHEMBL22716174 | 0.87 | — | — | |
| Water SCHEMBL20556992 | 0.87 | — | — | |
| Water SCHEMBL22716443 | 0.87 | — | — | |
| Water SCHEMBL1711800 | 0.82 | — | — | |
| Water SCHEMBL345104 | 0.82 | — | — | |
| Water SCHEMBL10986986 | 0.82 | — | — | |
| Water SCHEMBL11655347 | 0.82 | — | — | |
| Water SCHEMBL8035384 | 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105418096-A | Self-adaptive zirconium oxide tundish nozzle | ZHEJIANG IRON LION HIGH TEMPERATURE MAT CO LTD | 2016-03-23 | — | — | CN | claimed |
| CN-105272224-A | Preparation method of Al2O3 doped Mg-PSZ (magnesia partially stabilized zirconia) ceramic | UNIV SHANGHAI | 2016-01-27 | — | — | CN | claimed |
| CN-104860686-A | Method for preparing magnesia-stabilized zirconia crucible through casting molding | UNIV SHANGHAI | 2015-08-26 | — | — | CN | claimed |
| CN-104844201-A | Method for preparing zirconium oxide/zirconium tungstate composite material by utilizing crystal form stabilized zirconium oxide as raw material | HARBIN INST OF TECHNOLOGY | 2015-08-19 | — | — | CN | claimed |
| CN-103771853-A | Preparation method for sizing nozzle used for continuous casting | WUXI SHENJIA HYDRAULIC TECHNOLOGY CO LTD | 2014-05-07 | — | — | CN | claimed |
| CN-103771871-A | Metering nozzle for continuous casting | WUXI SHENJIA HYDRAULIC TECHNOLOGY CO LTD | 2014-05-07 | — | — | CN | claimed |
| CN-102766837-B | Novel thermal barrier coating | TAICANG LINJIANG FARM COOPERATIVE | 2014-02-19 | — | — | CN | claimed |
| WO-2012170337-A1 | POLYCRYSTALLINE TRANSLUCENT ALUMINA DOPED WITH MAGNESIUM OXIDE/ZIRCONIUM FOR HIGH INTENSITY DISCHARGE LAMPS | GENERAL ELECTRIC COMPANY (US) | 2012-12-13 | — | — | WO | claimed |
| US-20120306365-A1 | POLYCRYSTALLINE TRANSLUSCENT ALUMINA FOR HIGH INTENSITY DISCHARGE LAMPS | GENERAL ELECTRIC COMPANY | 2012-12-06 | — | — | US | claimed |
| CN-102766837-A | Novel thermal barrier coating | KUNSHAN QIAORUI METAL CO LTD | 2012-11-07 | — | — | CN | claimed |
| CN-1064260-A | With the fine and close self-reinforced silicon nitride ceramic that does not have the preparation of pressure or low-pressure gas sintering process | DOW CHEMICAL CO (US) | 1992-09-09 | — | — | CN | claimed |
| CN-104600273-B | A kind of phosphorous anode material for lithium-ion batteries and preparation method thereof | 国联汽车动力电池研究院有限责任公司 | 2018-10-26 | — | — | CN | disclosed |
| CN-105593705-B | Light colored scratch resistant articles with multilayer optical films | 康宁股份有限公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-106727477-A | The novel form of Diclofenac | 伊休蒂卡有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-106727424-A | The novel form of Diclofenac | 伊休蒂卡有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-101412537-A | Preparation of nano zircite powder | GUANGYUAN XIE (CN) | 2009-04-22 | — | — | CN | disclosed |
| US-20070031321-A1 | Apparatus and method for purification of corrosive gas streams | ENTEGRIS, INC. | 2007-02-08 | — | — | US | disclosed |
| CN-1283590-C | Refractory raw material prepared by carbon conbined reducing desilicon process | RUITAI HIGH TEMP MATERIAL SCIE (CN) | 2006-11-08 | — | — | CN | disclosed |
| CN-1809412-A | Apparatus and method for purification of corrosive gas streams | ENTEGRIS INC (US) | 2006-07-26 | — | — | CN | disclosed |
| CN-1648104-A | Clean producing technology for preparing refractory raw material using volatile aids reduction | RUITAI HIGH TEMPERATURE MATERI (CN) | 2005-08-03 | — | — | CN | disclosed |