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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.81 |
| ▸ | HPGD | P15428 | 1/20 | 0.81 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.81 |
| ▸ | RECQL | P46063 | 1/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.81 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.81 |
| ▸ | CA1 | P00915 | 18/20 | 0.62 |
| ▸ | CA2 | P00918 | 18/20 | 0.62 |
| ▸ | CA12 | O43570 | 13/20 | 0.56 |
| ▸ | CA9 | Q16790 | 13/20 | 0.56 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5308757 | 0.97 | THRB (1.00) | THRBALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL137550 | 0.97 | THRB (1.00) | THRBALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL9067544 | 0.93 | THRB (0.93) | THRBALDH1A1CYP3A4HPGDALOX15 | |
| Water SCHEMBL9862691 | 0.93 | THRB (0.81) | THRBALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL3674278 | 0.90 | THRB (0.87) | THRBALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL11861989 | 0.90 | THRB (0.87) | THRBALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL11117831 | 0.90 | THRB (0.87) | THRBALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL11697836 | 0.90 | THRB (0.87) | THRBALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL11695725 | 0.90 | THRB (0.87) | THRBALDH1A1CYP3A4HPGDALOX15 | |
| Zinc Ion SCHEMBL21691 | 0.90 | THRB (1.00) | THRBALDH1A1CYP3A4HPGDALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110016125-A | Polymer material and including its for the material of electroluminescent device, composition, film, electroluminescent device | 三星电子株式会社 | 2019-07-16 | — | — | CN | disclosed |
| CN-106232769-B | Composition and the light-emitting component for using the composition | 住友化学株式会社 | 2019-05-03 | — | — | CN | disclosed |
| CN-109686988-A | A kind of carbon carrying transition metal atom pair elctro-catalyst and the preparation method and application thereof | 燕山大学 | 2019-04-26 | — | — | CN | disclosed |
| CN-105688938-B | A kind of preparation method of cheap, efficient degradation of organic dye compound bio material | 东北林业大学 | 2018-03-23 | — | — | CN | disclosed |
| CN-104419416-B | Liquid composition containing phosphorescent light-emitting materials | 住友化学株式会社 | 2017-03-29 | — | — | CN | disclosed |
| CN-106232769-A | Compositions and the light-emitting component of use said composition | 住友化学株式会社 | 2016-12-14 | — | — | CN | disclosed |
| CN-106232716-A | Compositions and macromolecular compound and containing said composition or the organic semiconductor device of this macromolecular compound | 住友化学株式会社 | 2016-12-14 | — | — | CN | disclosed |