Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 5/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | TTK | P33981 | 1/20 | 0.49 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.49 |
| ▸ | MAPK9 | P45984 | 6/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 5/20 | 0.48 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.48 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 6/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.47 |
| ▸ | GSK3B | P49841 | 5/20 | 0.47 |
| ▸ | CDC7 | O00311 | 5/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.47 |
| ▸ | PRKACA | P17612 | 5/20 | 0.47 |
| ▸ | HIPK2 | Q9H2X6 | 5/20 | 0.47 |
| ▸ | JAK2 | O60674 | 4/20 | 0.47 |
| ▸ | PIM1 | P11309 | 4/20 | 0.47 |
| ▸ | FLT3 | P36888 | 4/20 | 0.47 |
| ▸ | JAK3 | P52333 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2389822 | 0.94 | IKBKB (0.55) | IKBKBAURKBAURKATTKINCENP | |
| SCHEMBL2388344 | 0.82 | MAPK1 (0.59) | IKBKBRETCDK7MAPK1CDK2 | |
| SCHEMBL1033923 | 0.78 | IKBKB (0.59) | IKBKBAURKBAURKATTKINCENP | |
| SCHEMBL1030530 | 0.78 | ADORA1 (0.59) | IKBKBMAPK9MAPK8MAPK10EIF2AK2 | |
| SCHEMBL3619159 | 0.78 | ADORA1 (0.59) | IKBKBMAPK9MAPK8MAPK10EIF2AK2 | |
| SCHEMBL1033674 | 0.77 | CDK1 (0.57) | IKBKBAURKBAURKATTKINCENP | |
| SCHEMBL1032138 | 0.77 | IKBKB (0.76) | IKBKBMAPK9MAPK8MAPK10EIF2AK2 | |
| SCHEMBL1034791 | 0.76 | MAPK1 (0.54) | IKBKBMAPK9MAPK8MAPK10CDK1 | |
| SCHEMBL3643870 | 0.74 | MAPK10 (0.58) | IKBKBAURKBAURKATTKINCENP | |
| SCHEMBL3648269 | 0.74 | DKK1 (0.58) | IKBKBAURKBAURKATTKINCENP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205086-A2 | FUNGICIDAL HETEROCYCLIC AMINES | E. I. du Pont de Nemours and Company (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009061761-A2 | FUNGICIDAL HETEROCYCLIC AMINES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-05-14 | — | — | WO | disclosed |