Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 18/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 16/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.42 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.42 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24376771 | 0.96 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL24376870 | 0.92 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL17771562 | 0.91 | ERBB2 (0.49) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL24377278 | 0.90 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL24377264 | 0.87 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL13194333 | 0.87 | HSP90AB1 (0.53) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL24376818 | 0.87 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL17771516 | 0.87 | ERBB2 (0.49) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL24377269 | 0.86 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL24376762 | 0.86 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 |
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-2694505-B1 | HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2022-04-27 | — | — | EP | disclosed |