Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 20/20 | 0.81 |
| ▸ | HSP90AA1 | P07900 | 18/20 | 0.81 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.81 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| SCHEMBL500866 | 0.93 | HSP90AB1 (0.81) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL4566979 | 0.92 | HSP90AB1 (0.79) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL419168 | 0.91 | HSP90AB1 (0.81) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL25602993 | 0.90 | HSP90AB1 (0.77) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| Ganetespib SCHEMBL29352120 | 0.89 | HSP90AB1 (1.00) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| Ganetespib SCHEMBL419750 | 0.89 | HSP90AB1 (1.00) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| Ganetespib SCHEMBL29376128 | 0.89 | HSP90AB1 (1.00) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL419884 | 0.89 | HSP90AB1 (1.00) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL15042948 | 0.89 | HSP90AB1 (0.76) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL29357308 | 0.89 | HSP90AB1 (1.00) | HSP90AB1HSP90AA1HSP90B1TRAP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012078757-A2 | COMBINATION BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS | SYNTA PHARMACEUTICALS CORP. (US) | 2012-06-14 | — | — | WO | disclosed |