Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 16/20 | 0.83 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20677837 | 1.00 | HSP90AA1 (0.83) | HSP90AA1HSP90AB1POLBTSHRPDK1 | |
| SCHEMBL30474293 | 0.91 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1 | |
| SCHEMBL20677853 | 0.91 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1 | |
| SCHEMBL30474300 | 0.85 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1POLBTSHR | |
| SCHEMBL30474365 | 0.83 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1POLBTSHR | |
| SCHEMBL20677880 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1POLBTSHR | |
| SCHEMBL487608 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1TSHR | |
| SCHEMBL30474298 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1POLBTSHR | |
| SCHEMBL20677849 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1POLBTSHR | |
| SCHEMBL30474333 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1POLBTSHR |
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-112661661-B | Compounds having HSP90 inhibitory activity or pharmaceutically acceptable salts thereof and medical use thereof | 恩科森株式会社 | 2023-06-27 | — | — | CN | disclosed |