Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 12/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 5/20 | 0.34 |
| ▸ | CDK4 | P11802 | 5/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.34 |
| ▸ | CCND1 | P24385 | 5/20 | 0.34 |
| ▸ | CDK2 | P24941 | 5/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CCND3 | P30281 | 1/20 | 0.34 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13638591 | 0.91 | IKBKB (0.37) | IKBKBMAPK8CDK1CDK4CCNB1 | |
| SCHEMBL13638592 | 0.91 | IKBKB (0.41) | IKBKBMAPK8CDK1CDK4CCNB1 | |
| SCHEMBL13638438 | 0.88 | IKBKB (0.39) | IKBKBMAPK8CDK1CDK4CCNB1 | |
| SCHEMBL13638679 | 0.87 | IKBKB (0.41) | IKBKBMAPK8CDK1CDK4CCNB1 | |
| SCHEMBL3472713 | 0.87 | IKBKB (0.41) | IKBKBMAPK8CDK1CDK4CCNB1 | |
| SCHEMBL13638590 | 0.86 | ROCK2 (0.38) | IKBKBMAPK8CHUKHDAC8 | |
| SCHEMBL13638312 | 0.86 | IKBKB (0.39) | IKBKBMAPK8CDK1CDK4CCNB1 | |
| SCHEMBL13638482 | 0.85 | IKBKB (0.37) | IKBKBMAPK8CHUKHDAC8MAPK9 | |
| SCHEMBL13638437 | 0.85 | IKBKB (0.39) | IKBKBMAPK8CDK1CDK4CCNB1 | |
| SCHEMBL13638531 | 0.85 | SYK (0.43) | IKBKBMAPK8CHUKHDAC8 |
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 |