Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.47 |
| ▸ | PIP4K2A | P48426 | 3/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.47 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30853518 | 0.94 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1PIP4K2APIK3CGHSP90B1 | |
| SCHEMBL30853542 | 0.91 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1PIP4K2APIK3CGHSP90B1 | |
| SCHEMBL30853530 | 0.87 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1PIP4K2APIK3CGHSP90B1 | |
| SCHEMBL30853529 | 0.86 | PIP4K2A (0.51) | HSP90AA1PIP4K2APIK3CG | |
| SCHEMBL30853534 | 0.86 | HSP90AA1 (0.51) | HSP90AA1PIP4K2APIK3CGHSP90B1 | |
| SCHEMBL30853535 | 0.85 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1HSP90B1 | |
| SCHEMBL30853525 | 0.85 | HSP90AA1 (0.57) | HSP90AA1HSP90B1 | |
| SCHEMBL30853536 | 0.85 | PIP4K2A (0.45) | HSP90AA1HSP90AB1PIP4K2APIK3CGHSP90B1 | |
| SCHEMBL30853541 | 0.84 | PIP4K2A (0.44) | PIP4K2APIK3CG | |
| SCHEMBL30853526 | 0.83 | PIP4K2A (0.46) | HSP90AA1PIP4K2APIK3CGHSP90B1TYK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118047781-A | HSP90 inhibitor and preparation method and application thereof | 广西大学 | 2024-05-17 | — | — | CN | disclosed |