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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2156398 | 0.97 | ALDH1A1 (0.32) | ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27991089 | 0.95 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL28106994 | 0.95 | ALDH1A1 (0.30) | ALDH1A1 | |
| Phosphine SCHEMBL28031041 | 0.95 | ALDH1A1 (0.30) | ALDH1A1 | |
| Propanol SCHEMBL28326995 | 0.93 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL28032369 | 0.93 | — | — | |
| Alcohol SCHEMBL28056034 | 0.92 | ALDH1A1 (0.35) | ALDH1A1 | |
| Cyanate SCHEMBL28112345 | 0.91 | — | — | |
| SCHEMBL28275235 | 0.90 | — | — | |
| SCHEMBL28699233 | 0.90 | SMN1; SMN2 (0.35) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107012456-A | Metal surface pretreating reagent that a kind of alkoxyl silicone ethyl Polyhedral Oligomeric silsesquioxane is modified and preparation method thereof, application | 武汉大学 | 2017-08-04 | — | — | CN | claimed |
| CN-107849232-A | Use of alcohols containing at least two urethane groups for producing polyether carbonate polyols | 科思创德国股份有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107541177-A | The preparation method of silane work(graphene, antistatic silicone pressure sensitive adhesive and preparation method thereof | 深圳市康利邦科技有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-107012456-A | Metal surface pretreating reagent that a kind of alkoxyl silicone ethyl Polyhedral Oligomeric silsesquioxane is modified and preparation method thereof, application | 武汉大学 | 2017-08-04 | — | — | CN | disclosed |
| CN-106519938-A | Coating composite | 关西涂料株式会社 | 2017-03-22 | — | — | CN | disclosed |
| CN-106189878-A | Peelable adhesive composition and peelable adhesive tape | 奇美实业股份有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-106054546-A | Toner | 佳能株式会社 | 2016-10-26 | — | — | CN | disclosed |
| CN-102827389-B | The manufacture method of eyeglass | 埃西勒国际通用光学公司 | 2016-08-17 | — | — | CN | disclosed |