Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.54 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.54 |
| ▸ | EGFR | P00533 | 16/20 | 0.50 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.46 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.46 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31065080 | 1.00 | AURKA (0.54) | AURKARPS6KB1EGFRIRAK4MAP4K3 | |
| SCHEMBL30504149 | 0.90 | RPS6KB1 (0.64) | AURKARPS6KB1EGFRIRAK4MAP4K3 | |
| SCHEMBL30423056 | 0.88 | RPS6KB1 (0.54) | AURKARPS6KB1EGFRIRAK4JAK3 | |
| SCHEMBL28459567 | 0.79 | IRAK4 (0.51) | AURKARPS6KB1EGFRIRAK4MAP4K3 | |
| SCHEMBL22773044 | 0.79 | IRAK4 (0.51) | AURKARPS6KB1EGFRIRAK4MAP4K3 | |
| SCHEMBL29922002 | 0.79 | IRAK4 (0.51) | AURKARPS6KB1EGFRIRAK4MAP4K3 | |
| SCHEMBL5660996 | 0.76 | IRAK4 (0.53) | AURKARPS6KB1EGFRIRAK4MAP4K3 | |
| SCHEMBL15764812 | 0.73 | MAPK14 (0.53) | AURKARPS6KB1EGFR | |
| SCHEMBL28692378 | 0.72 | DHODH (0.61) | — | |
| SCHEMBL28454277 | 0.71 | IRAK4 (0.57) | AURKARPS6KB1EGFRIRAK4MAP4K3 |
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-116217561-A | Novel kinase inhibitor with dimethyl isoindolone structure and preparation method and application thereof | 上海交通大学 | 2023-06-06 | — | — | CN | disclosed |