Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 15/20 | 0.63 |
| ▸ | CHUK | O15111 | 14/20 | 0.63 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
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 SCHEMBL3414006 | 0.94 | IKBKB (0.60) | IKBKBCHUKROCK1CYP2C9NEK1 | |
| SCHEMBL3413911 | 0.93 | IKBKB (0.67) | IKBKBCHUKROCK1CYP2C9NEK1 | |
| SCHEMBL3414310 | 0.87 | IKBKB (0.63) | IKBKBCHUKROCK1CYP2C9NEK1 | |
| SCHEMBL3413985 | 0.87 | IKBKB (0.67) | IKBKBCHUKROCK1CYP2C9NEK1 | |
| SCHEMBL3414009 | 0.86 | IKBKB (0.56) | IKBKBCHUKROCK1CYP2C9NEK1 | |
| Trifluoroacetic Acid SCHEMBL3417460 | 0.86 | IKBKB (0.70) | IKBKBCHUKROCK1CYP2C9NEK1 | |
| Trifluoroacetic Acid SCHEMBL3418097 | 0.83 | IKBKB (0.56) | IKBKBCHUKROCK1CYP2C9 | |
| SCHEMBL3411279 | 0.82 | IKBKB (0.63) | IKBKBCHUKROCK1CYP2C9NEK1 | |
| Trifluoroacetic Acid SCHEMBL3414334 | 0.82 | IKBKB (0.78) | IKBKBCHUKROCK1CYP2C9NEK1 | |
| Trifluoroacetic Acid SCHEMBL3416699 | 0.82 | IKBKB (0.83) | IKBKBCHUKROCK1CYP2C9NEK1 |
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 |