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 SCHEMBL13725907 | 0.89 | — | — | |
| Water SCHEMBL25242856 | 0.89 | — | — | |
| Water SCHEMBL587063 | 0.87 | — | — | |
| Water SCHEMBL3706655 | 0.87 | — | — | |
| Lithium Ion SCHEMBL1191843 | 0.87 | — | — | |
| Water SCHEMBL502820 | 0.87 | — | — | |
| Water SCHEMBL532545 | 0.87 | — | — | |
| Water SCHEMBL1780 | 0.87 | — | — | |
| Water SCHEMBL10339375 | 0.87 | — | — | |
| Water SCHEMBL21848042 | 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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4805908-B2 | — | — | 2011-11-02 | — | — | JP | claimed |
| JP-4805907-B2 | — | — | 2011-11-02 | — | — | JP | claimed |
| US-7959896-B2 | Hydrogen storage system materials and methods including hydrides and hydroxides | GM Global Technology Operations LLC (US) | 2011-06-14 | — | — | US | claimed |
| JP-2007525401-A | — | — | 2007-09-06 | — | — | JP | claimed |
| JP-2007525400-A | — | — | 2007-09-06 | — | — | JP | claimed |
| CN-1922100-A | Hydrogen storage materials and methods comprising hydrides and hydroxides | GEN MOTORS CORP (US) | 2007-02-28 | — | — | CN | claimed |
| WO-2005091765-A2 | HYDROGEN STORAGE SYSTEM MATERIALS AND METHODS INCLUDING HYDRIDES AND HYDROXIDES | GENERAL MOTORS CORPORATION (US) | 2005-10-06 | — | — | WO | claimed |
| WO-2005091767-A2 | HYDROGEN STORAGE MATERIALS AND METHODS INCLUDING HYBRIDES AND HYDROXIDES | GENERAL MOTORS CORPORATION (US) | 2005-10-06 | — | — | WO | claimed |
| US-20050191232-A1 | Hydrogen storage materials and methods including hydrides and hydroxides | GM Global Technology Operations LLC | 2005-09-01 | — | — | US | claimed |
| US-20050191234-A1 | system for methods of producing and releasing hydrogen from hydrogen storage compositions having a hydrogenated state and a dehydrogenated state. In the hydrogenated state, such a composition comprises a hydride and a hydroxide. In a dehydrogenated state, the composition comprises an oxide | GM Global Technology Operations LLC | 2005-09-01 | — | — | US | claimed |
| CN-111905700-B | Resin-based inorganic nanoparticle composite lithium extraction particle | 中蓝长化工程科技有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-111905700-A | Resin-based inorganic nanoparticle composite lithium extraction particle | 中蓝长化工程科技有限公司 | 2020-11-10 | — | — | CN | disclosed |
| US-20200318219-A1 | Mechanochemical recovery of Co, Li and other constituents from spent lithium-ion batteries | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2020-10-08 | — | — | US | disclosed |
| EP-2704992-B1 | PREPARATION OF LAYERED DOUBLE HYDROXIDES | UNIV OXFORD INNOVATION LTD (GB) | 2019-03-20 | — | — | EP | disclosed |
| EP-2704992-A1 | PREPARATION OF LAYERED DOUBLE HYDROXIDES | Isis Innovation Limited (GB) | 2014-03-12 | — | — | EP | disclosed |
| WO-2012150439-A1 | PREPARATION OF LAYERED DOUBLE HYDROXIDES | ISIS INNOVATION LIMITED (GB) | 2012-11-08 | — | — | WO | disclosed |
| CN-101108783-B | Organic semiconductor element | ASAHI KASEI FIBERS CORPERATION | 2012-04-04 | — | — | CN | disclosed |
| EP-1016153-A1 | SOL-CASTING OF MOLTEN CARBONATE FUEL CELL MATRICES | INSTITUTE OF GAS TECHNOLOGY (US) | 2000-07-05 | — | — | EP | disclosed |
| US-5983488-A | Sol-casting of molten carbonate fuel cell matrices | M-C POWER CORPORATION (US) | 1999-11-16 | — | — | US | disclosed |
| WO-1999007031-A1 | SOL-CASTING OF MOLTEN CARBONATE FUEL CELL MATRICES | M-C POWER CORPORATION (US) | 1999-02-11 | — | — | WO | disclosed |