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 SCHEMBL10788052 | 0.89 | — | — | |
| Water SCHEMBL8395021 | 0.89 | — | — | |
| SCHEMBL133296 | 0.89 | — | — | |
| Water SCHEMBL28856963 | 0.89 | — | — | |
| Water SCHEMBL297045 | 0.89 | — | — | |
| Bromide SCHEMBL2231707 | 0.80 | — | — | |
| Iodide SCHEMBL2231625 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3690953 | 0.80 | — | — | |
| SCHEMBL21112982 | 0.80 | — | — | |
| Water SCHEMBL7048767 | 0.80 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110129709-A | A kind of preparation method of ceramic layer and thus obtained ceramic layer and its thermal barrier coating | 华东理工大学 | 2019-08-16 | — | — | CN | claimed |
| CN-109724447-A | Augmentation of heat transfer pipe | 中国石油化工股份有限公司 | 2019-05-07 | — | — | CN | claimed |
| CN-109265184-A | A kind of preparation method of refractory material | 湖州南浔研艺斋工艺品有限公司 | 2019-01-25 | — | — | CN | claimed |
| CN-108706983-A | A kind of high strength refractory material and preparation method thereof | 合肥铭佑高温技术有限公司 | 2018-10-26 | — | — | CN | claimed |
| CN-108610072-A | A kind of composite refractory material and preparation method thereof | 合肥铭佑高温技术有限公司 | 2018-10-02 | — | — | CN | claimed |
| CN-105753487-B | Improve the composite granule and preparation method thereof of carbon containing refractory scour resistance | 中钢集团洛阳耐火材料研究院有限公司 | 2018-09-11 | — | — | CN | claimed |
| CN-108495946-A | Heat-insulated engine component and method of manufacture using ceramic coating | 费德罗-莫格尔有限责任公司 | 2018-09-04 | — | — | CN | claimed |
| CN-108474097-A | Thermally insulated steel piston crown and method of manufacture using ceramic coating | 费德罗-莫格尔有限责任公司 | 2018-08-31 | — | — | CN | claimed |
| CN-108358650-A | A kind of preparation method of high-temperature refractory | 合肥铭佑高温技术有限公司 | 2018-08-03 | — | — | CN | claimed |
| CN-107345299-A | A kind of turbine blade assemblies thermal barrier coating and preparation method thereof | 北京华清燃气轮机与煤气化联合循环工程技术有限公司 | 2017-11-14 | — | — | CN | claimed |
| CN-105753487-A | Composite powder for improving scouring resistance of carbon-containing refractory material and preparation method of composite powder | 中钢集团洛阳耐火材料研究院有限公司 | 2016-07-13 | — | — | CN | claimed |
| CN-110521034-A | Negative electrode material for nonaqueous electrode secondary battery and non-aqueous electrolyte secondary battery | PANASONIC IP MAN CO LTD | 2019-11-29 | — | — | CN | disclosed |
| CN-110284096-A | A kind of thermal barrier coating of novel porosity gradient | 清华大学无锡应用技术研究院 | 2019-09-27 | — | — | CN | disclosed |
| CN-110129709-A | A kind of preparation method of ceramic layer and thus obtained ceramic layer and its thermal barrier coating | 华东理工大学 | 2019-08-16 | — | — | CN | disclosed |
| CN-109724447-A | Augmentation of heat transfer pipe | 中国石油化工股份有限公司 | 2019-05-07 | — | — | CN | disclosed |
| CN-106478116-A | A kind of thermal shock resistance ZrO of magnesium aluminate spinel doping2The preparation method of MgO refractory material | 上海大学 | 2017-03-08 | — | — | CN | disclosed |
| CN-104474887-B | Dry-process cement rotary kiln desulphurization denitration complexing agent method of preparation and use | 黄晓研 | 2016-10-19 | — | — | CN | disclosed |
| CN-105753487-A | Composite powder for improving scouring resistance of carbon-containing refractory material and preparation method of composite powder | 中钢集团洛阳耐火材料研究院有限公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-101472852-B | Coated glass article | DOW GLOBAL TECHNOLOGIES LLC (US) | 2012-02-08 | — | — | CN | disclosed |
| CN-101472852-A | Coated glass article | DOW GLOBAL TECHNOLOGIES INC (US) | 2009-07-01 | — | — | CN | disclosed |