Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 10/20 | 1.00 |
| ▸ | TRAP1 | Q12931 | 9/20 | 1.00 |
| ▸ | HSP90B1 | P14625 | 5/20 | 1.00 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20118818 | 0.88 | HSP90AA1 (0.79) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A | |
| SCHEMBL20118704 | 0.87 | HSP90AA1 (0.78) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A | |
| SCHEMBL20118703 | 0.86 | HSP90AA1 (0.76) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A | |
| SCHEMBL20118871 | 0.82 | TRAP1 (1.00) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A | |
| SCHEMBL20118752 | 0.77 | HSP90AA1 (0.64) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A | |
| SCHEMBL20118754 | 0.74 | TRAP1 (1.00) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A | |
| SCHEMBL20118865 | 0.73 | HSP90AA1 (0.68) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A | |
| SCHEMBL20118867 | 0.72 | ADORA2A (0.66) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A | |
| SCHEMBL20118700 | 0.71 | TRAP1 (0.69) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A | |
| SCHEMBL20118687 | 0.71 | HSP90AA1 (0.68) | HSP90AA1TRAP1HSP90B1HSP90AB1ADORA2A |
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-2018079988-A1 | COMPOUND USEFUL AS TRAP1 INHIBITOR, AND ANTICANCER COMPOSITION CONTAINING SAME | 울산과학기술원 | 2018-05-03 | — | — | WO | disclosed |