Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4952347 | 0.84 | AURKA (0.42) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL4953620 | 0.81 | AURKA (0.59) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL4948427 | 0.79 | AURKA (0.37) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL14380986 | 0.74 | AURKA (0.39) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL2455601 | 0.72 | PDE4A (0.64) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL5263825 | 0.72 | AURKA (0.44) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL5270299 | 0.71 | AURKA (0.59) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL4952589 | 0.70 | AURKA (0.43) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL5318195 | 0.70 | AURKA (0.43) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL9384373 | 0.69 | AURKA (0.39) | AURKAAURKBPDE4APDE4BPDE4C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1793822-A1 | TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. Hoffmann-Roche AG (CH) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006032519-A1 | TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-30 | — | — | WO | disclosed |