Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 12/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.45 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.40 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 5/20 | 0.38 |
| ▸ | JAK3 | P52333 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL12819609 | 0.92 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1HSP90B1TRAP1CREBBP | |
| SCHEMBL12820036 | 0.90 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1 | |
| SCHEMBL12819989 | 0.90 | ROCK2 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12819759 | 0.89 | AURKA (0.39) | HSP90AA1HSP90AB1HSP90B1TRAP1KCNH2 | |
| SCHEMBL12819981 | 0.88 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12819617 | 0.88 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1HSP90B1TRAP1JAK1 | |
| SCHEMBL12819508 | 0.88 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1CREBBP | |
| SCHEMBL12819608 | 0.88 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12819238 | 0.87 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1HSP90B1TRAP1CREBBP | |
| SCHEMBL12819858 | 0.87 | HSP90AA1 (0.39) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2012126084-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE IΝ THE TREATMENT AND PREVENTION OF FUNGAL INFECTIONS | PHARMASCIENCE INC. (CA) | 2012-09-27 | — | — | WO | disclosed |
| WO-2011035417-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE FN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | AEGERA THERAPEUTICS INC. (CA) | 2011-03-31 | — | — | WO | disclosed |