Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 20/20 | 0.71 |
| ▸ | ITGAV | P06756 | 6/20 | 0.71 |
| ▸ | ITGA4 | P13612 | 9/20 | 0.58 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.58 |
| ▸ | ITGA5 | P08648 | 10/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.50 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3317334 | 0.91 | ITGB1 (0.69) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL4624246 | 0.91 | ITGB1 (0.64) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL4625475 | 0.90 | ITGB1 (0.58) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL4625259 | 0.90 | ITGB1 (0.67) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL5173381 | 0.89 | ITGB1 (0.72) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL4626488 | 0.87 | ITGB1 (0.64) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL4627526 | 0.85 | ITGB1 (0.52) | ITGB1ITGAVITGA4ITGB7ITGB3 | |
| SCHEMBL4627182 | 0.83 | ITGB1 (0.54) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL3316067 | 0.83 | ITGB1 (0.58) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL3313373 | 0.83 | 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 |