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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.47 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.47 |
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.47 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.44 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.44 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.50 |
| ▸ | BAD | Q92934 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 SCHEMBL6337149 | 1.00 | ALDH1A1 (0.56) | ALDH1A1BCL2L1BADNFE2L2KIF11 | |
| SCHEMBL7938359 | 0.97 | ALDH1A1 (0.60) | ALDH1A1BCL2L1BADNFE2L2KIF11 | |
| SCHEMBL412237 | 0.97 | ALDH1A1 (0.60) | ALDH1A1BCL2L1BADNFE2L2KIF11 | |
| SCHEMBL12444110 | 0.97 | ALDH1A1 (0.60) | ALDH1A1BCL2L1BADNFE2L2KIF11 | |
| SCHEMBL29130498 | 0.94 | ALDH1A1 (0.56) | ALDH1A1BCL2L1BADNFE2L2KIF11 | |
| SCHEMBL11491288 | 0.94 | ALDH1A1 (0.56) | ALDH1A1BCL2L1BADNFE2L2KIF11 | |
| SCHEMBL28421428 | 0.91 | ALDH1A1 (0.53) | ALDH1A1BCL2L1BADNFE2L2KIF11 | |
| Hydrochloric Acid SCHEMBL28569432 | 0.91 | ALDH1A1 (0.53) | ALDH1A1BCL2L1BADNFE2L2KIF11 | |
| SCHEMBL13682555 | 0.88 | ALDH1A1 (0.50) | ALDH1A1BCL2L1BADNFE2L2KIF11 | |
| SCHEMBL28348758 | 0.88 | BCL2L1 (0.52) | ALDH1A1BCL2L1BADNFE2L2KIF11 |
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-7828992-B2 | Composition comprising at least one type of liquid crystal | SONY DEUTSCHLAND GMBH (DE) | 2010-11-09 | — | — | US | claimed |
| EP-1840187-B1 | A composition comprising at least one type of liquid crystal | SONY DEUTSCHLAND GMBH (DE) | 2009-07-15 | — | — | EP | claimed |
| US-20070228324-A1 | COMPOSITION COMPRISING AT LEAST ONE TYPE OF LIQUID CRYSTAL | SONY DEUTSCHLAND GMBH (DE) | 2007-10-04 | — | — | US | claimed |
| EP-1840187-A1 | A composition comprising at least one type of liquid crystal | SONY DEUTSCHLAND GMBH (DE) | 2007-10-03 | — | — | EP | claimed |
| US-7828992-B2 | Composition comprising at least one type of liquid crystal | SONY DEUTSCHLAND GMBH (DE) | 2010-11-09 | — | — | US | disclosed |
| EP-1840187-B1 | A composition comprising at least one type of liquid crystal | SONY DEUTSCHLAND GMBH (DE) | 2009-07-15 | — | — | EP | disclosed |
| US-20070228324-A1 | COMPOSITION COMPRISING AT LEAST ONE TYPE OF LIQUID CRYSTAL | SONY DEUTSCHLAND GMBH (DE) | 2007-10-04 | — | — | US | disclosed |
| EP-1840187-A1 | A composition comprising at least one type of liquid crystal | SONY DEUTSCHLAND GMBH (DE) | 2007-10-03 | — | — | EP | disclosed |