Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | MLNR | O43193 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518012 | 1.00 | CYP17A1 (0.39) | CYP17A1CYP11B1CYP11B2GPR84KIF11 | |
| SCHEMBL8041175 | 1.00 | CYP17A1 (0.39) | CYP17A1CYP11B1CYP11B2GPR84KIF11 | |
| SCHEMBL9139450 | 0.96 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2GPR84KIF11 | |
| SCHEMBL8518318 | 0.88 | GPR84 (0.36) | GPR84KIF11MAOBTAAR1HRH3 | |
| SCHEMBL8518315 | 0.88 | GPR84 (0.36) | GPR84KIF11MAOBTAAR1HRH3 | |
| SCHEMBL9135675 | 0.86 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2GPR84KIF11 | |
| SCHEMBL7021187 | 0.85 | KIF11 (0.36) | GPR84KIF11MAOBRARARARB | |
| SCHEMBL9481205 | 0.85 | SLC6A2 (0.35) | GPR84MAOBSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9481211 | 0.85 | SLC6A2 (0.35) | GPR84MAOBSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9481182 | 0.85 | SLC6A2 (0.35) | GPR84MAOBSLC6A2SLC6A4SLC6A3 |
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 |