Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 11/20 | 0.55 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 9/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 6/20 | 0.41 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 3/20 | 0.40 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4625629 | 0.89 | ITGAV (0.69) | ITGAVITGB1LMNAPKMITGB3 | |
| SCHEMBL4409576 | 0.75 | ITGB1 (0.85) | ITGAVITGB1 | |
| SCHEMBL3317057 | 0.74 | ITGB1 (0.72) | ITGAVITGB1 | |
| SCHEMBL4626503 | 0.73 | ITGB1 (0.76) | ITGAVITGB1ITGB3 | |
| SCHEMBL3313527 | 0.72 | ITGB1 (0.79) | ITGAVITGB1 | |
| SCHEMBL4626491 | 0.71 | ITGB1 (0.73) | ITGAVITGB1ITGB3 | |
| SCHEMBL3320942 | 0.71 | ITGB1 (0.78) | ITGAVITGB1 | |
| SCHEMBL4625481 | 0.71 | ITGB1 (0.54) | ITGAVITGB1 | |
| SCHEMBL3313373 | 0.71 | ITGB1 (1.00) | ITGAVITGB1 | |
| SCHEMBL3316398 | 0.71 | ITGB1 (1.00) | ITGAVITGB1 |
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 |