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.
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 | |
|---|---|---|---|---|
| SCHEMBL2403062 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL39666 | 0.97 | — | — | |
| Bromide SCHEMBL4252005 | 0.95 | — | — | |
| Hydrochlorthiazide SCHEMBL5945473 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL11037482 | 0.79 | RAB9A (0.45) | — | |
| SCHEMBL15870899 | 0.76 | RIOK2 (0.49) | — | |
| SCHEMBL29769344 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL1255596 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL29769345 | 0.75 | ALDH1A1 (0.40) | — | |
| Water SCHEMBL27898216 | 0.75 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110891981-B | Radiation curable coating composition for improving surface properties of plastics | 阿科玛法国公司 | 2022-03-29 | — | — | CN | disclosed |
| US-11174393-B2 | Radiation-curable coating composition for improving the surface properties of plastics | ARKEMA FRANCE (FR) | 2021-11-16 | — | — | US | disclosed |
| US-20210130622-A1 | A RADIATION-CURABLE COATING COMPOSITION FOR IMPROVING THE SURFACE PROPERTIES OF PLASTICS | ARKEMA FRANCE (FR) | 2021-05-06 | — | — | US | disclosed |
| EP-3428199-B1 | A RADIATION-CURABLE COATING COMPOSITION FOR IMPROVING THE SURFACE PROPERTIES OF PLASTICS | ARKEMA FRANCE (FR) | 2020-08-19 | — | — | EP | disclosed |
| EP-3652220-A1 | A RADIATION-CURABLE COATING COMPOSITION FOR IMPROVING THE SURFACE PROPERTIES OF PLASTICS | Arkema France (FR) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019011784-A1 | A RADIATION-CURABLE COATING COMPOSITION FOR IMPROVING THE SURFACE PROPERTIES OF PLASTICS | ARKEMA FRANCE (FR) | 2019-01-17 | — | — | WO | disclosed |
| EP-3428199-A1 | A RADIATION-CURABLE COATING COMPOSITION FOR IMPROVING THE SURFACE PROPERTIES OF PLASTICS | ARKEMA FRANCE (FR) | 2019-01-16 | — | — | EP | disclosed |
| US-7879938-B2 | surface-modified inorganic particles have groups which interact with polymer in a van der Waals bond, hydrogen bridge bond, an electrostatic bond, ionic bond and/or a coordinative bond and/or a covalent bond; impact strength, ductility, heat resistance; polycaprolactam | EVONIK DEGUSSA GMBH (DE) | 2011-02-01 | — | — | US | disclosed |
| US-20080242782-A1 | Compositions comprising an organic polymer as the matrix and inorganic particles as the filler, process for the preparation thereof and applications of the same | DEGUSSA GMBH (DE) | 2008-10-02 | — | — | US | disclosed |
| US-20050084993-A1 | Light-guiding bodies and method for the production thereof | ROEHM GBMH & CO. KG (DE) | 2005-04-21 | — | — | US | disclosed |