Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.34 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.34 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | FPR3 | P25089 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | MELK | Q14680 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12820130 | 0.90 | MELK (0.38) | HSP90AA1HSP90AB1HSP90B1TRAP1MELK | |
| SCHEMBL12820135 | 0.89 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1HSP90B1TRAP1PLK1 | |
| SCHEMBL12820438 | 0.88 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1HSP90B1TRAP1MELK | |
| SCHEMBL12820156 | 0.87 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1HSP90B1TRAP1EPHX2 | |
| SCHEMBL12820489 | 0.86 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12820160 | 0.86 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12819934 | 0.85 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12819775 | 0.85 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1EPHX2 | |
| SCHEMBL12820382 | 0.84 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12820416 | 0.83 | HSP90AA1 (0.37) | 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 |