Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 13/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL13638530 | 0.89 | IKBKB (0.37) | IKBKBAURKATTKAURKBINCENP | |
| SCHEMBL4482494 | 0.88 | IKBKB (0.37) | IKBKBAURKATTKAURKBINCENP | |
| SCHEMBL5730543 | 0.83 | IKBKB (0.36) | IKBKBAURKATTKAURKBINCENP | |
| SCHEMBL14612807 | 0.79 | IKBKB (0.44) | IKBKBAURKATTKAURKBINCENP | |
| SCHEMBL13638532 | 0.79 | IKBKB (0.39) | IKBKBAURKATTKAURKBINCENP | |
| SCHEMBL13638533 | 0.78 | IKBKB (0.43) | IKBKBMAPK8HDAC8MAPK9MAPK10 | |
| SCHEMBL13638440 | 0.78 | IKBKB (0.43) | IKBKBAURKATTKAURKBINCENP | |
| SCHEMBL13638478 | 0.78 | IKBKB (0.48) | IKBKBMAPK8MAPK9MAPK10CHUK | |
| SCHEMBL13638678 | 0.78 | IKBKB (0.42) | IKBKBAURKATTKAURKBINCENP | |
| SCHEMBL14612854 | 0.77 | IKBKB (0.42) | IKBKBAURKATTKAURKBINCENP |
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 |