Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 7/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 5/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.41 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3471382 | 0.87 | ROCK1 (0.54) | ROCK1MAPK8MAPK10MAPK9JUN | |
| SCHEMBL13638441 | 0.85 | MAPK8 (0.58) | ROCK1MAPK8MAPK10MAPK9JUN | |
| SCHEMBL13638543 | 0.82 | MAPK8 (0.47) | MAPK8MAPK10MAPK9MKNK1EIF2AK2 | |
| SCHEMBL5090506 | 0.78 | MAPK8 (0.69) | ROCK1MAPK8MAPK10MAPK9JUN | |
| SCHEMBL5102632 | 0.78 | MAPK8 (0.69) | ROCK1MAPK8MAPK10MAPK9JUN | |
| SCHEMBL13638681 | 0.75 | MAPK8 (0.48) | MAPK8MAPK10MAPK9 | |
| SCHEMBL13638581 | 0.74 | EIF2AK2 (0.40) | MKNK1MKNK2EIF2AK2 | |
| SCHEMBL13638487 | 0.73 | GSK3B (0.52) | MAPK8MAPK10MAPK9JUNCDK2 | |
| SCHEMBL14612804 | 0.72 | MKNK1 (0.39) | MKNK1MKNK2EIF2AK2 | |
| SCHEMBL4478806 | 0.72 | CDC7 (0.53) | ROCK1MAPK8MAPK10MAPK9JUN |
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 |
|---|---|---|---|---|---|---|---|
| US-7615562-B2 | Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents | NOVARTIS AG (CH) | 2009-11-10 | — | — | US | disclosed |