Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | PIP4K2A | P48426 | 6/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.42 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30853535 | 0.93 | HSP90AA1 (0.51) | HSP90AA1BRAFCASP1HSP90B1 | |
| SCHEMBL30853526 | 0.88 | PIP4K2A (0.46) | HSP90AA1PIP4K2APIK3CGMAPK8MAPK9 | |
| SCHEMBL30853536 | 0.85 | PIP4K2A (0.45) | HSP90AA1PIP4K2APIK3CGHSP90B1SYK | |
| SCHEMBL30853533 | 0.84 | PIP4K2A (0.46) | HSP90AA1PIP4K2APIK3CGLMNAMAPT | |
| SCHEMBL30853529 | 0.84 | PIP4K2A (0.51) | HSP90AA1PIP4K2APIK3CGHPGDALDH1A1 | |
| SCHEMBL30853537 | 0.84 | PIP4K2A (0.43) | PIP4K2APIK3CGHPGDALDH1A1LMNA | |
| SCHEMBL30853539 | 0.82 | PIP4K2A (0.47) | HSP90AA1PIP4K2APIK3CGHSP90B1SYK | |
| SCHEMBL30853531 | 0.82 | PIP4K2A (0.47) | HSP90AA1PIP4K2APIK3CGEGFRSYK | |
| SCHEMBL30853520 | 0.81 | PIP4K2A (0.45) | HSP90AA1PIP4K2APIK3CGEGFRSYK | |
| SCHEMBL30853542 | 0.80 | HSP90AA1 (0.54) | HSP90AA1PIP4K2APIK3CGMAPK8MAPK9 |
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 |