Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 16/20 | 0.74 |
| ▸ | CHUK | O15111 | 16/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.53 |
| ▸ | NEK1 | Q96PY6 | 4/20 | 0.53 |
| ▸ | CIT | O14578 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | AURKAIP1 | Q9NWT8 | 1/20 | 0.43 |
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 SCHEMBL3415309 | 0.94 | IKBKB (0.65) | IKBKBCHUKCYP2C9ROCK1NEK1 | |
| Trifluoroacetic Acid SCHEMBL3411915 | 0.94 | IKBKB (0.85) | IKBKBCHUKCYP2C9ROCK1NEK1 | |
| SCHEMBL3415972 | 0.92 | IKBKB (0.86) | IKBKBCHUKCYP2C9ROCK1NEK1 | |
| Trifluoroacetic Acid SCHEMBL3412089 | 0.91 | IKBKB (0.70) | IKBKBCHUKCYP2C9ROCK1NEK1 | |
| Trifluoroacetic Acid SCHEMBL3413535 | 0.87 | IKBKB (0.74) | IKBKBCHUKCYP2C9ROCK1NEK1 | |
| SCHEMBL3415820 | 0.85 | IKBKB (0.74) | IKBKBCHUKCYP2C9ROCK1NEK1 | |
| SCHEMBL3412850 | 0.85 | IKBKB (0.74) | IKBKBCHUKCYP2C9ROCK1NEK1 | |
| SCHEMBL3414326 | 0.85 | IKBKB (1.00) | IKBKBCHUKCYP2C9ROCK1NEK1 | |
| Trifluoroacetic Acid SCHEMBL3414611 | 0.85 | IKBKB (0.86) | IKBKBCHUKCYP2C9ROCK1NEK1 | |
| Trifluoroacetic Acid SCHEMBL3607019 | 0.85 | IKBKB (0.67) | IKBKBCHUKCYP2C9ROCK1NEK1 |
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 |