Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.55 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.55 |
| ▸ | HSP90B1 | P14625 | 5/20 | 0.55 |
| ▸ | TRAP1 | Q12931 | 5/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1671728 | 0.89 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL1670004 | 0.88 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL1669419 | 0.80 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL1669632 | 0.79 | HSP90AA1 (0.78) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL17770990 | 0.78 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL1670412 | 0.77 | HSP90AA1 (0.68) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL1669663 | 0.77 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL1669789 | 0.75 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL17770976 | 0.75 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL1672906 | 0.75 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 |
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-2486039-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2012-08-15 | — | — | EP | disclosed |