Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 16/20 | 0.60 |
| ▸ | HSP90AB1 | P08238 | 15/20 | 0.60 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.49 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL383083 | 0.79 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL383810 | 0.79 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL10214759 | 0.78 | HSP90AB1 (0.73) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL19339155 | 0.77 | HSP90AB1 (0.69) | HSP90AA1HSP90AB1HSP90B1 | |
| SCHEMBL30091904 | 0.77 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL383624 | 0.77 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL30091906 | 0.77 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| Hydrochloric Acid SCHEMBL382762 | 0.77 | HSP90AB1 (0.72) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL19339221 | 0.76 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1HSP90B1TRAP1HDAC8 | |
| Hypochlorous Acid SCHEMBL12802787 | 0.76 | HSP90AB1 (0.70) | HSP90AA1HSP90AB1HSP90B1TRAP1 |
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-2081891-A2 | PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY | Astex Therapeutics Limited (GB) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008044027-A2 | PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |