Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 7/20 | 0.54 |
| ▸ | ITGAV | P06756 | 1/20 | 0.54 |
| ▸ | ITGA4 | P13612 | 14/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 10/20 | 0.47 |
| ▸ | AVPR1A | P37288 | 5/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3313181 | 0.92 | ITGB1 (0.66) | ITGB1ITGAVITGA4ITGB7AVPR1A | |
| SCHEMBL4625262 | 0.92 | ITGB1 (0.66) | ITGB1ITGAVITGA4ITGB7AVPR1A | |
| SCHEMBL4624848 | 0.90 | ITGB1 (0.54) | ITGB1ITGAVITGA4ITGB7AVPR1A | |
| SCHEMBL3316562 | 0.90 | ITGA4 (0.60) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3313410 | 0.88 | ITGB1 (0.59) | ITGB1ITGAVITGA4ITGB7AVPR1A | |
| SCHEMBL3318953 | 0.87 | ITGB1 (0.55) | ITGB1ITGAVITGA4ITGB7AVPR1A | |
| SCHEMBL4652931 | 0.87 | ITGB1 (0.55) | ITGB1ITGAVITGA4ITGB7AVPR1A | |
| SCHEMBL27621113 | 0.85 | ITGA4 (0.51) | ITGB1ITGAVITGA4ITGB7AVPR1A | |
| SCHEMBL4624559 | 0.85 | ITGB1 (0.54) | ITGB1ITGAVITGA4ITGB7AVPR1A | |
| SCHEMBL3316847 | 0.85 | ITGB1 (0.48) | ITGB1ITGAVITGA4ITGB7AVPR1A |
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 |