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 SCHEMBL27866276 | 1.00 | — | — | |
| Water SCHEMBL29122480 | 0.87 | — | — | |
| Water SCHEMBL16439996 | 0.82 | — | — | |
| Water SCHEMBL9279752 | 0.82 | — | — | |
| Water SCHEMBL11848168 | 0.82 | — | — | |
| Water SCHEMBL502821 | 0.82 | — | — | |
| Water SCHEMBL15416076 | 0.82 | — | — | |
| Water SCHEMBL21612684 | 0.82 | — | — | |
| SCHEMBL21753933 | 0.82 | — | — | |
| Water SCHEMBL21352203 | 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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116230410-A | Integrated photo-charging capacitor and preparation method thereof | 中国长江三峡集团有限公司 | 2023-06-06 | — | — | CN | claimed |
| CN-1547271-A | Oxidization filming modified method for graphite negative pole material of lithium ion secondary battery | 天津大学 | 2004-11-17 | — | — | CN | claimed |
| CN-116230410-A | Integrated photo-charging capacitor and preparation method thereof | 中国长江三峡集团有限公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-110137496-A | A kind of polymer single ion conductor and preparation method thereof and a kind of anode composite and all solid state lithium-sulfur cell | 上海汽车集团股份有限公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-103985871-B | The preparation method of LiFePO4 manganese cell positive electrode | 宁波艾能锂电材料科技股份有限公司 | 2017-07-07 | — | — | CN | disclosed |
| EP-1553647-B1 | METHOD FOR PREPARING POSITIVE ELECTRODE MATERIAL FOR SECONDARY CELL, AND SECONDARY CELL | JAPAN PRESIDENT UNIV KYUSYU (JP) | 2016-12-07 | — | — | EP | disclosed |
| CN-103985871-A | Preparation method for positive electrode material of iron, lithium and manganese phosphate battery | NINGBO ENERGY MATERIALS TECHNOLOGY CO LTD | 2014-08-13 | — | — | CN | disclosed |
| CN-1922100-B | Hydrogen storage materials and methods comprising hydrides and hydroxides | GEN MOTORS CORP | 2010-05-12 | — | — | CN | disclosed |
| US-7491468-B2 | Method for preparing positive electrode material for secondary cell, and secondary cell | JAPAN AS REPRESENTED BY THE PRESIDENT OF THE UNIVERSITY OF KYUSYU (JP) | 2009-02-17 | — | — | US | disclosed |
| CN-101124154-A | Hydrogen storage system materials and methods including hydrides and hydroxides | GEN MOTORS CORP (US) | 2008-02-13 | — | — | CN | disclosed |
| CN-100359726-C | Method for preparing cathode material for secondary battery and secondary battery | JAPAN GOVERNMENT (JP) | 2008-01-02 | — | — | CN | disclosed |
| CN-1980857-A | Regeneration of hydrogen storage system materials and methods including hydrides and hydroxides | GEN MOTORS CORP (US) | 2007-06-13 | — | — | CN | disclosed |
| US-20060147365-A1 | Method for preparing positive electrode material for secondary cell, and secondary cell | MITSUI ENGINEERING & SHIPBUILDING CO., LTD. ET AL. (JP) | 2006-07-06 | — | — | US | disclosed |
| CN-1240876-C | Electrolytic process of preparing lithium hydroxide from lithium carbonate | UNIV XINJIANG (CN) | 2006-02-08 | — | — | CN | disclosed |
| CN-1706057-A | Method for preparing positive electrode material for secondary cell, and secondary cell | JAPAN GOVERNMENT (JP) | 2005-12-07 | — | — | CN | disclosed |
| EP-1553647-A1 | METHOD FOR PREPARING POSITIVE ELECTRODE MATERIAL FOR SECONDARY CELL, AND SECONDARY CELL | Japan as represented by President of the University of Kyusyu (JP) | 2005-07-13 | — | — | EP | disclosed |
| CN-1547271-A | Oxidization filming modified method for graphite negative pole material of lithium ion secondary battery | 天津大学 | 2004-11-17 | — | — | CN | disclosed |