Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.74 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 2/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | CHUK | O15111 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28565741 | 1.00 | HSP90AA1 (0.74) | HSP90AA1MAPK8MAPK9IKBKBHSP90AB1 | |
| SCHEMBL28570557 | 0.89 | HSP90AA1 (0.69) | HSP90AA1MAPK8MAPK9ADORA2AADORA2B | |
| SCHEMBL28570555 | 0.89 | HSP90AA1 (0.69) | HSP90AA1MAPK8MAPK9ADORA2AADORA2B | |
| SCHEMBL30053550 | 0.85 | HSP90AA1 (1.00) | HSP90AA1MAPK8MAPK9 | |
| SCHEMBL28568013 | 0.85 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1 | |
| SCHEMBL28572877 | 0.85 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1 | |
| SCHEMBL28572876 | 0.85 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1 | |
| SCHEMBL28565745 | 0.85 | HSP90AA1 (0.71) | HSP90AA1 | |
| SCHEMBL28568961 | 0.85 | HSP90AA1 (0.74) | HSP90AA1 | |
| SCHEMBL28568011 | 0.85 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1 |
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 |