Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 19/20 | 0.75 |
| ▸ | CHUK | O15111 | 19/20 | 0.75 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.58 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | AURKAIP1 | Q9NWT8 | 1/20 | 0.52 |
| ▸ | KIT | P10721 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4052716 | 0.92 | IKBKB (0.65) | IKBKBCHUKROCK1AURKBAURKAIP1 | |
| SCHEMBL3418269 | 0.89 | IKBKB (0.81) | IKBKBCHUKROCK1AURKBAURKAIP1 | |
| SCHEMBL3417539 | 0.89 | IKBKB (0.79) | IKBKBCHUKROCK1AURKBAURKAIP1 | |
| SCHEMBL3418133 | 0.88 | IKBKB (0.78) | IKBKBCHUKROCK1AURKBAURKAIP1 | |
| SCHEMBL14154259 | 0.87 | IKBKB (0.76) | IKBKBCHUKROCK1AURKBAURKAIP1 | |
| SCHEMBL3417920 | 0.87 | IKBKB (0.76) | IKBKBCHUKROCK1AURKBAURKAIP1 | |
| SCHEMBL3412681 | 0.86 | IKBKB (1.00) | IKBKBCHUKROCK1AURKBAURKAIP1 | |
| SCHEMBL3417228 | 0.86 | IKBKB (0.78) | IKBKBCHUKROCK1KIT | |
| SCHEMBL4052036 | 0.85 | IKBKB (0.62) | IKBKBCHUK | |
| SCHEMBL3412679 | 0.85 | IKBKB (0.83) | IKBKBCHUKROCK1AURKBAURKAIP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009112475-A1 | PYRROLO [2, 3-B] PYRIDIN DERIVATIVES AS IKK2 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2009-09-17 | — | — | WO | claimed |
| WO-2009112475-A1 | PYRROLO [2, 3-B] PYRIDIN DERIVATIVES AS IKK2 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2009-09-17 | — | — | WO | disclosed |
| WO-2009112475-A1 | PYRROLO [2, 3-B] PYRIDIN DERIVATIVES AS IKK2 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2009-09-17 | — | — | WO | disclosed |