Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT3 | Q9Y243 | 8/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | TTK | P33981 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | CLK1 | P49759 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | CLK2 | P49760 | 2/20 | 0.41 |
| ▸ | CLK3 | P49761 | 2/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893092 | 0.86 | GSK3B (0.41) | PDK1AURKAGSK3BCDK2HDAC2 | |
| SCHEMBL16893141 | 0.78 | NAMPT (0.40) | GSK3BHDAC2HDAC8HDAC6 | |
| SCHEMBL16893116 | 0.76 | NAMPT (0.38) | GSK3BHDAC2HDAC8HDAC6 | |
| SCHEMBL5244050 | 0.75 | GSK3B (0.61) | AKT3PDK1GSK3BCDK2CLK1 | |
| SCHEMBL16893078 | 0.74 | GSK3B (0.47) | GSK3B | |
| SCHEMBL16893017 | 0.73 | ADORA1 (0.46) | GSK3BCDK2HDAC2HDAC8HDAC6 | |
| SCHEMBL16893034 | 0.72 | ADORA1 (0.48) | — | |
| SCHEMBL16893143 | 0.71 | MAPK1 (0.52) | GSK3BHDAC2HDAC8HDAC6 | |
| SCHEMBL2755877 | 0.69 | HDAC2 (0.56) | CLK4CLK2HDAC2HDAC8HDAC6 | |
| SCHEMBL10914951 | 0.69 | ABL1 (0.68) | ABL1BCRSRCHDAC2HDAC8 |
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-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | claimed |