Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.75 |
| ▸ | HSP90AB1 | P08238 | 14/20 | 0.75 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.54 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.54 |
| ▸ | BCL2 | P10415 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL383219 | 0.86 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL12546068 | 0.81 | HPGD (0.59) | HSP90AA1HSP90AB1 | |
| SCHEMBL12545839 | 0.81 | HPGD (0.63) | HSP90AA1HSP90AB1 | |
| SCHEMBL12430541 | 0.81 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL382768 | 0.80 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TRAP1HSP90B1BCL2 | |
| SCHEMBL3417055 | 0.79 | TRAP1 (0.56) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL12545945 | 0.77 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1 | |
| SCHEMBL383080 | 0.77 | HSP90AA1 (0.78) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL12545677 | 0.77 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL4792932 | 0.76 | HSP90AA1 (0.83) | HSP90AA1HSP90AB1TRAP1HSP90B1BCL2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008044045-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |