Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 16/20 | 0.77 |
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.77 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.46 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3394915 | 0.89 | HSP90AA1 (0.78) | HSP90AB1HSP90AA1DHFRSLC2A1 | |
| SCHEMBL3394034 | 0.87 | HSP90AB1 (0.76) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL3393012 | 0.87 | HSP90AB1 (1.00) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL3395258 | 0.84 | HSP90AB1 (1.00) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL3395811 | 0.81 | HSP90AA1 (0.57) | HSP90AB1HSP90AA1 | |
| SCHEMBL3392457 | 0.79 | HSP90AA1 (0.71) | HSP90AB1HSP90AA1DHFRSLC2A1 | |
| SCHEMBL3395858 | 0.78 | HSP90AA1 (0.62) | HSP90AB1HSP90AA1 | |
| SCHEMBL17364319 | 0.77 | CDK1 (0.67) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL3392839 | 0.77 | HSP90AB1 (0.83) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL14568280 | 0.77 | HSP90AB1 (0.67) | HSP90AB1HSP90AA1HSP90B1TRAP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2145888-A1 | Deazapurine derivatives as HSP90-Inhibitors | Conforma Therapeutics Corporation (US) | 2010-01-20 | — | — | EP | disclosed |