Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 4/20 | 0.51 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 3/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | LYN | P07948 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | FER | P16591 | 1/20 | 0.42 |
| ▸ | MARK3 | P27448 | 1/20 | 0.42 |
| ▸ | FLT4 | P35916 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13607853 | 0.85 | AURKA (0.51) | AURKANTRK1FYNGRIN1GRIN2B | |
| SCHEMBL13608554 | 0.84 | KIT (0.47) | AURKANTRK1FYNCDK1GSK3A | |
| SCHEMBL13608558 | 0.83 | AURKA (0.46) | AURKANTRK1FYNGRIN1GRIN2B | |
| SCHEMBL13608162 | 0.83 | AXL (0.51) | CDK1CDK2MKNK2PLK4CHEK1 | |
| SCHEMBL13608252 | 0.83 | NPC1 (0.56) | CDK1CDK2MKNK2PLK4CHEK1 | |
| SCHEMBL13608546 | 0.81 | HPGDS (0.50) | CDK1CDK2MKNK2PLK4CHEK1 | |
| SCHEMBL4060428 | 0.81 | AURKA (0.66) | AURKAFYNNOX1CYP3A4KIT | |
| SCHEMBL13607892 | 0.80 | SCN2A (0.50) | CDK1CDK2MKNK2PLK4CHEK1 | |
| SCHEMBL13607890 | 0.80 | KDM4E (0.51) | AURKACDK1GSK3AGSK3BCDK5 | |
| SCHEMBL13608309 | 0.80 | NPC1 (0.42) | CDK1CDK2MKNK2PLK4CHEK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7622479-B2 | Bicyclic derivative, its production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-24 | — | — | US | disclosed |
| US-7622479-B2 | Bicyclic derivative, its production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-24 | — | — | US | disclosed |