Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 20/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 8/20 | 0.42 |
| ▸ | TRAP1 | Q12931 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12075133 | 1.00 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL14920498 | 1.00 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1781588 | 1.00 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1781589 | 1.00 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL14921019 | 1.00 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL14921203 | 1.00 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL14921201 | 1.00 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1780042 | 0.91 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1780040 | 0.91 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL1782639 | 0.90 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013064919-A1 | QUINAZOLINE DERIVATIVES WITH HSP90 INHIBITORY ACTIVITY | DAC SRL (IT) | 2013-05-10 | — | — | WO | claimed |
| WO-2013064919-A1 | QUINAZOLINE DERIVATIVES WITH HSP90 INHIBITORY ACTIVITY | DAC SRL (IT) | 2013-05-10 | — | — | WO | disclosed |