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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.58 |
| ▸ | GSK3B known ✓ | P49841 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.70 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | PLAU | P00749 | 1/20 | 0.58 |
| ▸ | STS | P08842 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
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 SCHEMBL9243001 | 1.00 | MAPT (0.70) | MAPTL3MBTL1SRD5A2TDP1CES1 | |
| SCHEMBL24800 | 0.98 | MAPT (0.73) | MAPTL3MBTL1SRD5A2TDP1CES1 | |
| SCHEMBL4282905 | 0.95 | MAPT (0.70) | MAPTL3MBTL1SRD5A2TDP1CES1 | |
| Hydrochloric Acid SCHEMBL27315608 | 0.95 | MAPT (0.70) | MAPTL3MBTL1SRD5A2TDP1CES1 | |
| Bicarbonate SCHEMBL28984888 | 0.95 | MAPT (0.70) | MAPTL3MBTL1SRD5A2TDP1CES1 | |
| Formaldehyde SCHEMBL27372987 | 0.93 | MAPT (0.68) | MAPTL3MBTL1SRD5A2TDP1CES1 | |
| Methyl Alcohol SCHEMBL11602292 | 0.93 | MAPT (0.68) | MAPTL3MBTL1SRD5A2TDP1CES1 | |
| SCHEMBL7129800 | 0.93 | MAPT (0.80) | MAPTL3MBTL1SRD5A2TDP1CES1 | |
| SCHEMBL7199268 | 0.93 | MAPT (0.67) | MAPTL3MBTL1SRD5A2TDP1CES1 | |
| Trimethylammonium SCHEMBL6391150 | 0.92 | MAPT (0.61) | MAPTL3MBTL1SRD5A2TDP1CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109415630-A | Liquid-crystal composition, mixture, element and tunable light device | 日东电工株式会社 | 2019-03-01 | — | — | CN | disclosed |
| US-20180292714-A1 | MANUFACTURE METHOD OF QUANTUM-DOT COLOR FILTER AND LIQUID CRYSTAL DISPLAY DEVICE | SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) | 2018-10-11 | — | — | US | disclosed |