Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 14/20 | 0.77 |
| ▸ | HSP90AB1 | P08238 | 14/20 | 0.77 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2425134 | 0.93 | HSP90AA1 (0.85) | HSP90AA1HSP90AB1ROCK2ROCK1 | |
| SCHEMBL2425132 | 0.93 | HSP90AA1 (0.85) | HSP90AA1HSP90AB1ROCK2ROCK1 | |
| SCHEMBL3980048 | 0.92 | HSP90AA1 (0.87) | HSP90AA1HSP90AB1RAB9A | |
| SCHEMBL2426782 | 0.92 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1 | |
| SCHEMBL2426780 | 0.92 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1 | |
| SCHEMBL2429263 | 0.90 | HSP90AA1 (0.77) | HSP90AA1HSP90AB1RAB9A | |
| SCHEMBL2429266 | 0.90 | HSP90AA1 (0.77) | HSP90AA1HSP90AB1RAB9A | |
| SCHEMBL2427717 | 0.89 | HSP90AA1 (0.84) | HSP90AA1HSP90AB1 | |
| SCHEMBL2427718 | 0.89 | HSP90AA1 (0.84) | HSP90AA1HSP90AB1 | |
| SCHEMBL2428574 | 0.89 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1ROCK2ROCK1RAB9A |
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-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |