Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.56 |
| ▸ | TRAP1 | Q12931 | 4/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 5/20 | 0.49 |
| ▸ | BCR | P11274 | 5/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.47 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20118612 | 0.84 | ADORA2A (0.64) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL10195525 | 0.84 | HSP90AA1 (0.60) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL25546964 | 0.82 | HSP90AA1 (0.66) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL20118840 | 0.80 | HSP90AA1 (0.63) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL20118865 | 0.80 | HSP90AA1 (0.68) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL20118691 | 0.79 | HSP90AA1 (0.62) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL20118702 | 0.78 | TRAP1 (0.65) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL3394461 | 0.78 | TRAP1 (0.67) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL20118740 | 0.77 | TRAP1 (0.64) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL20118614 | 0.77 | HSP90AA1 (0.60) | HSP90AA1TRAP1HSP90AB1ADORA2AADORA1 |
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 |