Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19182759 | 0.81 | HSP90AA1 (0.66) | HSP90AA1TDP1ALDH1A1 | |
| SCHEMBL20677863 | 0.81 | HSP90AA1 (1.00) | HSP90AA1 | |
| SCHEMBL30474354 | 0.81 | HSP90AA1 (1.00) | HSP90AA1 | |
| SCHEMBL19183436 | 0.77 | HSP90AA1 (0.64) | HSP90AA1HPGDALDH1A1 | |
| SCHEMBL19182758 | 0.76 | HSP90AA1 (0.68) | HSP90AA1 | |
| SCHEMBL9545203 | 0.75 | HSP90AA1 (0.61) | HSP90AA1MAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL28260525 | 0.72 | HSP90AA1 (0.67) | HSP90AA1 | |
| SCHEMBL19182704 | 0.70 | HSP90AA1 (0.65) | HSP90AA1TDP1 | |
| SCHEMBL28505334 | 0.70 | HSP90AA1 (0.56) | HSP90AA1GAAHPGDMAPK1L3MBTL1 | |
| SCHEMBL19182979 | 0.70 | HSP90AA1 (1.00) | HSP90AA1 |
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-108884021-A | Novel compound having HSP90 inhibitory activity or pharmaceutically acceptable salt thereof and medical use thereof | 启明大学校产学协力团 | 2018-11-23 | — | — | CN | disclosed |