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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL7648145 | 1.00 | SPHK1 (0.36) | SPHK1 | |
| SCHEMBL289853 | 0.98 | SPHK1 (0.36) | SPHK1 | |
| SCHEMBL170183 | 0.98 | SPHK1 (0.36) | SPHK1 | |
| SCHEMBL11158890 | 0.84 | KDM4E (0.37) | — | |
| SCHEMBL11156316 | 0.84 | KDM4E (0.37) | — | |
| SCHEMBL11163555 | 0.84 | KDM4E (0.37) | — | |
| SCHEMBL11165806 | 0.84 | KDM4E (0.37) | — | |
| SCHEMBL11465150 | 0.84 | KDM4E (0.37) | — | |
| SCHEMBL41217 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL3260514 | 0.82 | ALDH1A1 (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0856526-B1 | OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME | CHISSO CORP (JP) | 2002-08-28 | — | — | EP | disclosed |
| US-6313225-B2 | High melt tension, high crystallization temperature; hollow moldings | CHISSO CORPORATION (JP) | 2001-11-06 | — | — | US | disclosed |
| US-20010004657-A1 | OLEFIN(CO-) POLYMER COMPOSITIONS AND METHOD FOR PRODUCING THE SAME ANDCATALYST FOR OLEFIN (CO-) POLYMERIZATION AND METHOD FOR PRODUCING THE SAME | CHISSO CORPORATION (JP) | 2001-06-21 | — | — | US | disclosed |
| US-6231804-B1 | USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER | CHISSO CORPORATION (JP) | 2001-05-15 | — | — | US | disclosed |
| US-6156845-A | Polyolefin composition and method of making | CHISSO CORPORATION (JP) | 2000-12-05 | — | — | US | disclosed |
| EP-0972800-A1 | MODIFIED OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PREPARING THE SAME, AND MODIFIED OLEFIN (CO)POLYMER COMPOSITION MOLDING | CHISSO CORPORATION (JP) | 2000-01-19 | — | — | EP | disclosed |
| EP-0856526-A1 | OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME | CHISSO CORPORATION (JP) | 1998-08-05 | — | — | EP | disclosed |