Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.46 |
| ▸ | ALK | Q9UM73 | 11/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.45 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL676261 | 0.85 | ALK (0.52) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL668576 | 0.83 | ALK (0.47) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL3723800 | 0.78 | CNR2 (0.43) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL31318484 | 0.77 | GABRA1 (0.55) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL677069 | 0.77 | GABRA1 (0.39) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL676503 | 0.75 | GABRA1 (0.49) | ALKGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL675430 | 0.74 | ALK (0.70) | ALKMAPK14 | |
| SCHEMBL677068 | 0.74 | CNR2 (0.39) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL676627 | 0.74 | ALK (0.45) | ALKGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL676628 | 0.74 | ALK (0.45) | ALKGABRA1GABRG2GABRB3GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |