Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 17/20 | 0.47 |
| ▸ | ITGAV | P06756 | 1/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 16/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 13/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3314948 | 0.85 | ITGB1 (0.67) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL4625192 | 0.82 | ITGB1 (0.73) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6142370 | 0.81 | ITGB1 (0.66) | ITGB1ITGAVITGA4ITGB7KCNH2 | |
| SCHEMBL6140590 | 0.77 | ITGB1 (0.56) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL4625313 | 0.77 | ITGB1 (0.55) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6140931 | 0.76 | ITGB1 (0.54) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6151313 | 0.73 | ITGB1 (0.52) | ITGB1ITGAVITGA4ITGB7KCNH2 | |
| SCHEMBL6141061 | 0.72 | ITGB1 (0.55) | ITGB1ITGAVITGA4ITGB7KCNH2 | |
| SCHEMBL3314968 | 0.70 | ITGB1 (0.87) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6141570 | 0.70 | ITGB1 (0.43) | 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 | claimed |
| 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 | claimed |