Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.74 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL28568961 | 1.00 | HSP90AA1 (0.74) | HSP90AA1CA1CA2CA3CA6 | |
| SCHEMBL28565744 | 0.88 | HSP90AA1 (0.71) | HSP90AA1CA1CA2CA3CA6 | |
| SCHEMBL28565745 | 0.88 | HSP90AA1 (0.71) | HSP90AA1CA1CA2CA3CA6 | |
| SCHEMBL28562473 | 0.85 | HSP90AA1 (0.65) | HSP90AA1CA1CA2CA3CA6 | |
| SCHEMBL30053550 | 0.85 | HSP90AA1 (1.00) | HSP90AA1 | |
| SCHEMBL28562475 | 0.85 | HSP90AA1 (0.65) | HSP90AA1CA1CA2CA3CA6 | |
| SCHEMBL28565741 | 0.85 | HSP90AA1 (0.74) | HSP90AA1 | |
| SCHEMBL28565743 | 0.85 | HSP90AA1 (0.74) | HSP90AA1 | |
| SCHEMBL28568013 | 0.82 | HSP90AA1 (0.71) | HSP90AA1 | |
| SCHEMBL28568011 | 0.82 | HSP90AA1 (0.71) | 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-108147978-B | Grp94 inhibitor with benzamide parent nucleus structure and application thereof | 中国药科大学 | 2021-05-07 | — | — | CN | disclosed |