Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8380296 | 1.00 | AHR (0.44) | AHRCYP1B1PGRSLC6A3SLC6A4 | |
| SCHEMBL8383539 | 0.87 | DGAT1 (0.32) | SLC6A3SLC6A4SLC6A2KCNH2DGAT1 | |
| SCHEMBL8383547 | 0.87 | DGAT1 (0.32) | SLC6A3SLC6A4SLC6A2KCNH2DGAT1 | |
| SCHEMBL8379519 | 0.87 | DGAT1 (0.38) | PGRSLC6A3SLC6A4CYP2D6SLC6A2 | |
| SCHEMBL8379522 | 0.87 | DGAT1 (0.38) | PGRSLC6A3SLC6A4CYP2D6SLC6A2 | |
| SCHEMBL8380286 | 0.83 | HTR3A (0.41) | SLC6A3SLC6A2NPC1RAB9A | |
| SCHEMBL8380284 | 0.83 | HTR3A (0.41) | SLC6A3SLC6A2NPC1RAB9A | |
| SCHEMBL9628787 | 0.83 | SLC6A2 (0.43) | SLC6A3SLC6A4CYP2D6SLC6A2KCNH2 | |
| SCHEMBL9181519 | 0.83 | SLC6A2 (0.43) | SLC6A3SLC6A4CYP2D6SLC6A2KCNH2 | |
| SCHEMBL9181525 | 0.83 | SLC6A2 (0.43) | SLC6A3SLC6A4CYP2D6SLC6A2KCNH2 |
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 |