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 SCHEMBL6037380 | 0.82 | — | — | |
| Water SCHEMBL339061 | 0.82 | — | — | |
| SCHEMBL5537601 | 0.82 | — | — | |
| Water SCHEMBL2721093 | 0.82 | — | — | |
| Water SCHEMBL22041615 | 0.82 | — | — | |
| Water SCHEMBL10695512 | 0.82 | — | — | |
| Water SCHEMBL9751635 | 0.82 | — | — | |
| Water SCHEMBL1065284 | 0.82 | — | — | |
| Water SCHEMBL2479241 | 0.82 | — | — | |
| Water SCHEMBL94690 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110615488-B | V-doped NiO-coated V-doped Ni3S2Preparation method of core-shell structure | 陕西科技大学 | 2022-04-01 | — | — | CN | disclosed |
| CN-110615488-A | V-doped NiO-coated V-doped Ni3S2Preparation method of core-shell structure | 陕西科技大学 | 2019-12-27 | — | — | CN | disclosed |
| CN-107140601-A | A kind of composite hydrogen storage material of nano-sized nickel hydroxide doping and preparation method thereof | 桂林电子科技大学 | 2017-09-08 | — | — | CN | disclosed |
| EP-1005579-B1 | ELECTROCHEMICAL SYNTHESIS OF COBALT OXYHYDROXIDE | DURACELL INC (US) | 2004-06-16 | — | — | EP | disclosed |
| EP-1005579-A1 | ELECTROCHEMICAL SYNTHESIS OF COBALT OXYHYDROXIDE | DURACELL INC. (US) | 2000-06-07 | — | — | EP | disclosed |
| US-5984982-A | PROVIDING ANODE, CATHODE, COBALT OXYHYDROXIDE PRECURSOR, BASIC SOLUTION, APPLYING CURRENT TO FORM COBALT OXYHYDROXIDE, REMOVING, COMBINING WITH NICKEL HYDROXIDE TO FORM ELECTRODE, USING TO FORM BATTERY | DURACELL INC. (US) | 1999-11-16 | — | — | US | disclosed |
| WO-1999013131-A1 | ELECTROCHEMICAL SYNTHESIS OF COBALT OXYHYDROXIDE | DURACELL INC. (US) | 1999-03-18 | — | — | WO | disclosed |
| US-5419981-A | Hydrogen electrochemical cell housing | ERGENICS, INC. (US) | 1995-05-30 | — | — | US | disclosed |
| WO-1995012902-A1 | IMPROVED HYDROGEN ELECTROCHEMICAL CELL HOUSING | ERGENICS, INC. (US) | 1995-05-11 | — | — | WO | disclosed |