Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 13/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 13/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL3313128 | 1.00 | ITGB1 (0.43) | ITGB1ITGA4ALDH1A1ITGAVTRPA1 | |
| SCHEMBL3314360 | 0.90 | ITGB1 (0.48) | ITGB1ITGA4ALDH1A1ITGAVITGB7 | |
| SCHEMBL3313932 | 0.89 | ITGA4 (0.46) | ITGB1ITGA4ALDH1A1ITGAVITGB7 | |
| SCHEMBL4410500 | 0.86 | ITGB1 (0.53) | ITGB1ITGA4ALDH1A1ITGAVITGB7 | |
| SCHEMBL3317863 | 0.86 | ITGB1 (0.53) | ITGB1ITGA4ALDH1A1ITGAVITGB7 | |
| SCHEMBL3318694 | 0.85 | ITGB1 (0.45) | ITGB1ITGA4ALDH1A1ITGAVITGB7 | |
| SCHEMBL6141601 | 0.81 | ITGB1 (0.39) | ITGB1ITGA4ALDH1A1ITGAV | |
| SCHEMBL4625418 | 0.80 | ITGB1 (0.44) | ITGB1ITGA4ALDH1A1ITGAVITGB7 | |
| SCHEMBL3320849 | 0.74 | ITGB1 (0.56) | ITGB1ITGA4ALDH1A1ITGAVITGB7 | |
| SCHEMBL3314257 | 0.74 | ITGB1 (0.51) | ITGB1ITGA4ITGAVITGB7 |
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-1501801-B1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES | UCB PHARMA SA (BE) | 2008-01-23 | — | — | EP | disclosed |