Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 16/20 | 0.54 |
| ▸ | ITGAV | P06756 | 1/20 | 0.54 |
| ▸ | ITGA4 | P13612 | 15/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 9/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6140590 | 0.93 | ITGB1 (0.56) | ITGB1ITGAVITGA4ITGB7LDHA | |
| SCHEMBL6141516 | 0.92 | ITGB1 (0.51) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6142370 | 0.90 | ITGB1 (0.66) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6151313 | 0.82 | ITGB1 (0.52) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3313117 | 0.82 | ITGB1 (0.81) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3318793 | 0.82 | ITGB1 (0.81) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3314866 | 0.82 | ITGB1 (0.81) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6141873 | 0.81 | ITGB1 (0.53) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3313321 | 0.78 | ITGB1 (0.69) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL4627302 | 0.78 | ITGB1 (0.69) | ITGB1ITGAVITGA4ITGB7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501801-A1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS | UCB, S.A. (BE) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093237-A1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS | UCB, S.A. (BE) | 2003-11-13 | — | — | WO | disclosed |