Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.71 |
| ▸ | ERBB2 | P04626 | 8/20 | 0.71 |
| ▸ | HSP90AB1 | P08238 | 8/20 | 0.71 |
| ▸ | HSP90B1 | P14625 | 5/20 | 0.71 |
| ▸ | TRAP1 | Q12931 | 5/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL1669662 | 0.97 | HSP90AA1 (0.71) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL11903516 | 0.88 | HSP90AB1 (0.69) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL1669369 | 0.87 | ERBB2 (0.77) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL11903892 | 0.87 | HSP90AB1 (0.55) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL11904465 | 0.85 | HSP90AB1 (0.69) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL11903549 | 0.85 | HSP90AB1 (0.55) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL13192667 | 0.84 | HSP90AA1 (0.75) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL1670015 | 0.84 | HSP90AB1 (0.54) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL18203392 | 0.84 | ERBB2 (0.68) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL22276091 | 0.84 | HSP90AA1 (0.82) | HSP90AA1ERBB2HSP90AB1HSP90B1TRAP1 |
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-3091019-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-04-03 | — | — | EP | disclosed |
| EP-3091019-A2 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2016-11-09 | — | — | EP | disclosed |