Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 14/20 | 0.55 |
| ▸ | KIT | P10721 | 2/20 | 0.54 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | MAP3K6 | O95382 | 1/20 | 0.46 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL28367843 | 0.88 | AKT1 (0.57) | AKT1KITBTK | |
| SCHEMBL16637074 | 0.87 | LRRK2 (0.61) | AKT1KITBTKCNR1CNR2 | |
| SCHEMBL2253309 | 0.87 | AKT1 (0.57) | AKT1KITBTKMAP4K4 | |
| SCHEMBL30372688 | 0.84 | AKT1 (0.55) | AKT1KITBTKMAP4K4 | |
| SCHEMBL29247001 | 0.84 | AKT1 (0.55) | AKT1KITBTKMAP4K4 | |
| SCHEMBL1050203 | 0.83 | JAK3 (0.55) | AKT1MAP3K6MAP3K5 | |
| SCHEMBL28021229 | 0.82 | AKT1 (0.50) | AKT1MAP3K6MAP3K5 | |
| SCHEMBL20641460 | 0.81 | MAP3K5 (0.59) | AKT1BTKCNR1CNR2MAP3K6 | |
| SCHEMBL29247486 | 0.81 | KIT (0.55) | AKT1KITBTKCNR1CNR2 | |
| SCHEMBL30372597 | 0.81 | KIT (0.55) | AKT1KITBTKCNR1CNR2 |
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-108822110-B | Aromatic heterocycle-containing a, β -unsaturated ketone compound and preparation method and application thereof | 山东大学 | 2020-03-13 | — | — | CN | disclosed |