Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 14/20 | 0.55 |
| ▸ | CHUK | O15111 | 14/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.55 |
| ▸ | NEK1 | Q96PY6 | 5/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3414866 | 0.89 | IKBKB (0.59) | IKBKBCHUKROCK1NEK1CYP2C9 | |
| SCHEMBL3414579 | 0.88 | IKBKB (0.65) | IKBKBCHUKROCK1NEK1CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL3412810 | 0.87 | IKBKB (0.67) | IKBKBCHUKROCK1NEK1CYP2C9 | |
| SCHEMBL3410064 | 0.85 | IKBKB (0.75) | IKBKBCHUKROCK1NEK1CYP2C9 | |
| SCHEMBL3607022 | 0.85 | IKBKB (0.58) | IKBKBCHUKROCK1NEK1CYP2C9 | |
| SCHEMBL3414009 | 0.82 | IKBKB (0.56) | IKBKBCHUKROCK1NEK1CYP2C9 | |
| SCHEMBL3417481 | 0.82 | IKBKB (0.77) | IKBKBCHUKROCK1NEK1CYP2C9 | |
| SCHEMBL3617126 | 0.81 | IKBKB (0.68) | IKBKBCHUKROCK1NEK1CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL3415936 | 0.80 | IKBKB (0.51) | IKBKBCHUKROCK1CYP2C9 | |
| SCHEMBL3413149 | 0.80 | IKBKB (0.73) | IKBKBCHUKROCK1NEK1CYP2C9 |
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 |