Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 15/20 | 0.58 |
| ▸ | CHUK | O15111 | 15/20 | 0.58 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.58 |
| ▸ | AURKAIP1 | Q9NWT8 | 1/20 | 0.58 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | CIT | O14578 | 2/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.43 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3609210 | 0.89 | CHUK (0.49) | IKBKBCHUKAURKBAURKAIP1ROCK1 | |
| SCHEMBL3414789 | 0.87 | IKBKB (0.58) | IKBKBCHUKAURKBAURKAIP1ROCK1 | |
| SCHEMBL3418445 | 0.84 | IKBKB (0.57) | IKBKBCHUKAURKBAURKAIP1ROCK1 | |
| SCHEMBL3416702 | 0.84 | IKBKB (0.59) | IKBKBCHUKAURKBAURKAIP1ROCK1 | |
| SCHEMBL3412542 | 0.83 | IKBKB (0.58) | IKBKBCHUKAURKBAURKAIP1ROCK1 | |
| SCHEMBL3413927 | 0.83 | IKBKB (0.56) | IKBKBCHUKAURKBAURKAIP1ROCK1 | |
| SCHEMBL3417397 | 0.83 | IKBKB (0.58) | IKBKBCHUKAURKBAURKAIP1ROCK1 | |
| SCHEMBL3415850 | 0.82 | IKBKB (0.55) | IKBKBCHUKAURKBAURKAIP1ROCK1 | |
| SCHEMBL3416753 | 0.82 | IKBKB (0.58) | IKBKBCHUKAURKBAURKAIP1ROCK1 | |
| Trifluoroacetic Acid SCHEMBL3417526 | 0.81 | IKBKB (0.66) | IKBKBCHUKAURKBAURKAIP1ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2069341-B1 | PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS | GLAXO GROUP LTD (GB) | 2010-12-29 | — | — | EP | disclosed |