Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 3/20 | 0.47 |
| ▸ | LCK | P06239 | 2/20 | 0.47 |
| ▸ | IGF1R | P08069 | 2/20 | 0.47 |
| ▸ | GSK3A | P49840 | 2/20 | 0.47 |
| ▸ | CDK7 | P50613 | 2/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | PAK4 | O96013 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | CSF1R | P07333 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.47 |
| ▸ | MET | P08581 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.47 |
| ▸ | PRKACA | P17612 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL24900439 | 1.00 | PDK1 (0.49) | PDK1GSK3BLCKIGF1RGSK3A | |
| SCHEMBL30957637 | 0.85 | PDK1 (0.50) | PDK1GSK3BLCKIGF1RGSK3A | |
| SCHEMBL17490480 | 0.85 | PDK1 (0.50) | PDK1GSK3BLCKIGF1RGSK3A | |
| SCHEMBL30221565 | 0.85 | PDK1 (0.47) | PDK1GSK3BLCKIGF1RGSK3A | |
| SCHEMBL24900656 | 0.85 | PDK1 (0.47) | PDK1GSK3BLCKIGF1RGSK3A | |
| SCHEMBL30957512 | 0.84 | PDK1 (0.39) | PDK1GSK3BLCKIGF1RGSK3A | |
| SCHEMBL24900722 | 0.84 | PDK1 (0.39) | PDK1GSK3BLCKIGF1RGSK3A | |
| SCHEMBL17490484 | 0.81 | SMN1; SMN2 (0.38) | PDK1GSK3BLCKIGF1RGSK3A | |
| SCHEMBL30957490 | 0.81 | SMN1; SMN2 (0.38) | PDK1GSK3BLCKIGF1RGSK3A | |
| SCHEMBL518274 | 0.80 | CDK5 (0.51) | PDK1CDK5CLK4 |
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-118159533-A | Heterocyclic compounds and their use | 艾森医药有限公司 | 2024-06-07 | — | — | CN | disclosed |