Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRAP1 | Q12931 | 6/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.65 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.65 |
| ▸ | HSP90B1 | P14625 | 3/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20118687 | 0.88 | HSP90AA1 (0.68) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL20118816 | 0.84 | HSP90AA1 (0.60) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL20118709 | 0.81 | TRAP1 (0.65) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL25548705 | 0.81 | TRAP1 (0.79) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL23416540 | 0.79 | TRAP1 (0.76) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL20118754 | 0.79 | TRAP1 (1.00) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL20118703 | 0.78 | HSP90AA1 (0.76) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL4452564 | 0.78 | HSP90AA1 (0.71) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL20118840 | 0.76 | HSP90AA1 (0.63) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A | |
| SCHEMBL25548643 | 0.76 | HSP90AA1 (0.64) | TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A |
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 |