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.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL3147412 | 0.97 | SMN1; SMN2 (0.37) | SMN1; SMN2HSD17B10TTRKDM4E | |
| Dioxane SCHEMBL8100844 | 0.74 | SMN1; SMN2 (0.50) | SMN1; SMN2HSD17B10TTRKDM4E | |
| SCHEMBL9516626 | 0.72 | SMN1; SMN2 (0.34) | SMN1; SMN2HSD17B10TTRKDM4E | |
| SCHEMBL9516665 | 0.72 | SMN1; SMN2 (0.34) | SMN1; SMN2HSD17B10TTRKDM4E | |
| Dioxane SCHEMBL29086945 | 0.70 | FFAR3 (0.54) | SMN1; SMN2HSD17B10TTRKDM4E | |
| Dioxane SCHEMBL575055 | 0.70 | FFAR3 (0.54) | SMN1; SMN2HSD17B10TTRKDM4E | |
| Dioxane SCHEMBL11791944 | 0.70 | SMN1; SMN2 (0.52) | SMN1; SMN2HSD17B10TTRKDM4E | |
| Acetic Acid SCHEMBL8865239 | 0.70 | FFAR3 (0.54) | SMN1; SMN2HSD17B10TTRKDM4E | |
| Dioxane SCHEMBL9684295 | 0.69 | TTR (0.55) | SMN1; SMN2HSD17B10TTRKDM4E | |
| Dioxane SCHEMBL3328113 | 0.69 | TTR (0.55) | SMN1; SMN2HSD17B10TTRKDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070180688-A1 | METHOD FOR PRODUCING A LITHIUM SECONDARY BATTERY | CANON KABUSHIKI KAISHA (JP) | 2007-08-09 | — | — | US | disclosed |
| US-7081320-B2 | High energy density secondary battery for repeated use | CANON KABUSHIKI KAISHA (JP) | 2006-07-25 | — | — | US | disclosed |
| US-6395423-B1 | FILM COVERING OF ELECTRODE | CANON KABUSHIKI KAISHA (JP) | 2002-05-28 | — | — | US | disclosed |
| US-6391492-B1 | OXIDATION OF TITANIUM, VANADIUM, CHROMIUM, MANGANESE, IRON, COBALT, NICKEL OR COPPER BY REACTION TRANSITION METAL COMPOUND WITH WATER, ALCOHOL, OR HYDROXIDE; LITHIUM BATTERIES; DURABILITY | CANON KABUSHIKI KAISHA (JP) | 2002-05-21 | — | — | US | disclosed |
| US-20020031701-A1 | High energy density secondary battery for repeated use | KAWAKAMI SOICHIRO (JP) | 2002-03-14 | — | — | US | disclosed |
| US-6207326-B1 | ANODES AND CATHODES WITH NITROGEN AND HALOGEN | CANON KABUSHIKI KAISHA (JP) | 2001-03-27 | — | — | US | disclosed |
| US-5824434-A | A POROUS MULTILAYER METAL OXIDE FILM SEPARATOR FOR INHIBITING THE DENDRITES GROWTH ON ELECTRODES; PREVENT SHORT CIRCUITS, DURABILITY, LONG CYCLE LIFE | CANON KABUSHIKI KAISHA (JP) | 1998-10-20 | — | — | US | disclosed |
| WO-1997004308-A1 | BUFFER/ADDITIVES ELECTROLYTE COMBINATIONS FOR ELECTROKINETIC CHROMATOGRAPHY | WATERS INVESTMENTS LIMITED (US) | 1997-02-06 | — | — | WO | disclosed |