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 SCHEMBL10747940 | 1.00 | — | — | |
| Water SCHEMBL487225 | 1.00 | — | — | |
| Water SCHEMBL8618181 | 1.00 | — | — | |
| Water SCHEMBL3091704 | 1.00 | — | — | |
| Water SCHEMBL22806512 | 1.00 | — | — | |
| Water SCHEMBL27815122 | 1.00 | — | — | |
| Water SCHEMBL27827690 | 1.00 | — | — | |
| Water SCHEMBL28768410 | 1.00 | — | — | |
| Water SCHEMBL23567361 | 0.82 | — | — | |
| Water SCHEMBL3382555 | 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 383 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4341505-A2 | HYBRID FIRE RETARDANT INSULATION AND METHOD OF MAKING THE SAME | Cleanfiber, Inc. (US) | 2024-03-27 | — | — | EP | claimed |
| CN-108598494-B | Fuel cell anode and fuel cell using same | 西安科技大学 | 2020-09-22 | — | — | CN | claimed |
| CN-108832141-B | Honeycomb structure nickel-cobalt-boron alloy catalyst for fuel cell and preparation method thereof | 西安科技大学 | 2020-09-22 | — | — | CN | claimed |
| CN-110102876-A | A kind of cryogenic assembly recovery technique based on laser | 旻投电力发展有限公司 | 2019-08-09 | — | — | CN | claimed |
| CN-110078927-A | A kind of heat-resisting boracic containing hydrogen silicone oil and preparation method | 合肥工业大学 | 2019-08-02 | — | — | CN | claimed |
| CN-109438518-A | For the mono-substituted diaza benzo imidazole carbenes metal complex in organic light emitting diode | UDC 爱尔兰有限责任公司 | 2019-03-08 | — | — | CN | claimed |
| CN-108832141-A | A kind of fuel cell honeycomb nickel cobalt boron alloy catalyst and preparation method thereof | 西安科技大学 | 2018-11-16 | — | — | CN | claimed |
| CN-105906995-B | PVC based composites and preparation method thereof for attaching plug | 台州携康电子有限公司 | 2018-11-16 | — | — | CN | claimed |
| CN-105518013-B | Monosubstituted diazabenzimidazole carbene metal complexes for use in organic light emitting diodes | UDC 爱尔兰有限责任公司 | 2018-10-26 | — | — | CN | claimed |
| US-10094645-B2 | Dissolvable projectiles | GENICS INC. (CA) | 2018-10-09 | — | — | US | claimed |
| WO-2009037307-A2 | ACCELERATED REDUCTION OF ORGANIC SUBSTANCES WITH BORANES | BASF SE (DE) | 2009-03-26 | — | — | WO | claimed |
| US-20080286195-A1 | Hydrogen generation systems and methods | MILLENNIUM CELL, INC. | 2008-11-20 | — | — | US | claimed |
| CN-1938394-A | Chemical mechanical polishing slurry composition for shallow trench isolation process of semiconductor | HANWHA CHEMICAL CORP (KR) | 2007-03-28 | — | — | CN | claimed |
| WO-2006093843-A2 | BOROHYDRIDE FUEL COMPOSITIONS AND METHODS | MILLENNIUM CELL, INC. (US) | 2006-09-08 | — | — | WO | claimed |
| US-20060196112-A1 | Borohydride fuel compositions and methods | MILLENNIUM CELL, INC. | 2006-09-07 | — | — | US | claimed |
| US-6156940-A | Process for producing optically active carbinols | SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) | 2000-12-05 | — | — | US | claimed |
| US-5449529-A | Oxidation resistance | TOYO TANSO CO., LTD. (JP) | 1995-09-12 | — | — | US | claimed |
| WO-1995002491-A1 | PRESERVATIVE | LEE STEERE CHRISTOPHER IAN (AU) | 1995-01-26 | — | — | WO | claimed |
| CN-1076454-A | With two or the coupling of many aldehyde prepare the method and the gained polycondensate of multichain section star or netted polycondensate | ATOCHEM ELF SA (FR) | 1993-09-22 | — | — | CN | claimed |
| US-4994627-A | Purification of polyoxyalkylene glycols | TEXACO CHEMICAL COMPANY (US) | 1991-02-19 | — | — | US | claimed |