Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 17/20 | 0.51 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30853519 | 0.93 | HSP90AA1 (0.43) | HSP90AA1HSP90B1BRAFCASP1 | |
| SCHEMBL30853542 | 0.88 | HSP90AA1 (0.54) | HSP90AA1HSP90B1HSP90AB1 | |
| SCHEMBL30853525 | 0.87 | HSP90AA1 (0.57) | HSP90AA1HSP90B1 | |
| SCHEMBL30853543 | 0.85 | HSP90AA1 (0.49) | HSP90AA1HSP90B1HSP90AB1 | |
| SCHEMBL30853528 | 0.85 | PIP4K2A (0.42) | — | |
| SCHEMBL30853534 | 0.85 | HSP90AA1 (0.51) | HSP90AA1HSP90B1 | |
| SCHEMBL30853518 | 0.84 | HSP90AA1 (0.51) | HSP90AA1HSP90B1HSP90AB1 | |
| SCHEMBL30853530 | 0.81 | HSP90AA1 (0.49) | HSP90AA1HSP90B1HSP90AB1 | |
| SCHEMBL30853526 | 0.80 | PIP4K2A (0.46) | HSP90AA1HSP90B1 | |
| SCHEMBL14177840 | 0.80 | HSP90AA1 (0.62) | HSP90AA1HSP90B1HSP90AB1 |
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 |