Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 14/20 | 0.66 |
| ▸ | CHUK | O15111 | 14/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CIT | O14578 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 5/20 | 0.44 |
| ▸ | CASP3 | P42574 | 3/20 | 0.44 |
| ▸ | CASP7 | P55210 | 3/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13505174 | 0.94 | IKBKB (0.74) | IKBKBCHUKCYP2C9CITCDK9 | |
| SCHEMBL4890112 | 0.87 | IKBKB (0.63) | IKBKBCHUKCYP2C9CITCDK9 | |
| Trifluoroacetic Acid SCHEMBL3413145 | 0.86 | IKBKB (0.85) | IKBKBCHUKCYP2C9CITCDK9 | |
| Trifluoroacetic Acid SCHEMBL3415206 | 0.84 | IKBKB (0.67) | IKBKBCHUKCYP2C9CITCDK9 | |
| Trifluoroacetic Acid SCHEMBL3415888 | 0.84 | IKBKB (0.75) | IKBKBCHUKCYP2C9CITCDK9 | |
| SCHEMBL2990321 | 0.84 | IKBKB (0.62) | IKBKBCHUKCYP2C9CITCDK9 | |
| Trifluoroacetic Acid SCHEMBL3617124 | 0.83 | IKBKB (0.79) | IKBKBCHUKCYP2C9CITCDK9 | |
| SCHEMBL2986279 | 0.83 | IKBKB (0.61) | IKBKBCHUKCYP2C9CITCDK9 | |
| Trifluoroacetic Acid SCHEMBL3418423 | 0.81 | IKBKB (0.69) | IKBKBCHUKCYP2C9CITCDK9 | |
| Trifluoroacetic Acid SCHEMBL3418055 | 0.81 | IKBKB (0.85) | IKBKBCHUKCYP2C9CIT |
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 |