Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 6/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9311770 | 1.00 | HTR2A (0.37) | HTR2AGRM2DGAT1TDP2CYP2D6 | |
| SCHEMBL8380307 | 1.00 | HTR2A (0.37) | HTR2AGRM2DGAT1TDP2CYP2D6 | |
| SCHEMBL9311766 | 1.00 | HTR2A (0.37) | HTR2AGRM2DGAT1TDP2CYP2D6 | |
| SCHEMBL8380316 | 0.89 | FFAR1 (0.33) | DGAT1SLC6A2SLC6A4SLC6A3PTGS2 | |
| SCHEMBL9313850 | 0.89 | FFAR1 (0.33) | DGAT1SLC6A2SLC6A4SLC6A3PTGS2 | |
| SCHEMBL8380314 | 0.89 | FFAR1 (0.33) | DGAT1SLC6A2SLC6A4SLC6A3PTGS2 | |
| SCHEMBL9313856 | 0.89 | FFAR1 (0.33) | DGAT1SLC6A2SLC6A4SLC6A3PTGS2 | |
| SCHEMBL9311930 | 0.87 | AHR (0.41) | HTR2ADGAT1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL8382880 | 0.87 | CYP3A4 (0.35) | CYP2D6PGR | |
| SCHEMBL8381522 | 0.87 | CYP3A4 (0.35) | CYP2D6PGR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0475273-B1 | Liquid crystal mixture containing halogenated alcenyl compounds | MERCK PATENT GMBH (DE) | 1999-04-07 | — | — | EP | disclosed |
| US-5292452-A | Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0475273-A1 | Halogenated alcenyl compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1992-03-18 | — | — | EP | disclosed |