Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 9/20 | 0.59 |
| ▸ | ITGAV | P06756 | 1/20 | 0.59 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.33 |
| ▸ | PTGFR | P43088 | 3/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3319930 | 0.88 | ITGB1 (0.61) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL1028112 | 0.83 | ITGB1 (0.55) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL4624872 | 0.80 | ITGB1 (0.51) | ITGB1ITGAVITGA4ITGB7GHSR | |
| SCHEMBL4626504 | 0.79 | ITGB1 (0.53) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL4750015 | 0.79 | ITGB1 (0.53) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL3313216 | 0.79 | ITGB1 (0.50) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL1030228 | 0.77 | ITGB1 (0.49) | ITGB1ITGAVABL1HRH3ALDH1A1 | |
| SCHEMBL4747267 | 0.75 | ITGB1 (0.47) | ITGB1ITGAVABL1 | |
| SCHEMBL3313373 | 0.74 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL3316398 | 0.74 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7ITGA5 |
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-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 |
| EP-1870402-A1 | 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors | UCB Pharma, S.A. (BE) | 2007-12-26 | — | — | EP | disclosed |