Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 19/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 18/20 | 0.47 |
| ▸ | HSP90B1 | P14625 | 6/20 | 0.43 |
| ▸ | TRAP1 | Q12931 | 5/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12850347 | 0.93 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1HSP90B1TRAP1CSNK1E | |
| SCHEMBL12819516 | 0.92 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1HSP90B1TRAP1CSNK1E | |
| SCHEMBL12820158 | 0.92 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1HSP90B1TRAP1CSNK1E | |
| SCHEMBL12820015 | 0.92 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12819315 | 0.91 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1HSP90B1TRAP1CSNK1E | |
| SCHEMBL12819931 | 0.90 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1CSNK1E | |
| SCHEMBL12820155 | 0.89 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12820374 | 0.89 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1HSP90B1TRAP1CSNK1E | |
| SCHEMBL12820164 | 0.88 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12819521 | 0.88 | HSP90AA1 (0.44) | 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 |