Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 5/20 | 0.66 |
| ▸ | ITGAV | P06756 | 2/20 | 0.66 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | IL2 | P60568 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3312947 | 0.86 | ITGB1 (0.67) | ITGB1ITGAVITGA4ITGB7ITGB3 | |
| SCHEMBL4419511 | 0.85 | ITGB1 (0.83) | ITGB1ITGAVITGA4ITGB7ITGB3 | |
| SCHEMBL14302839 | 0.80 | ITGB1 (0.60) | ITGB1ITGAVITGA4ITGB7ITGB3 | |
| SCHEMBL3313356 | 0.80 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3316398 | 0.80 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3313373 | 0.80 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL8352229 | 0.80 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3318272 | 0.79 | ITGB1 (0.85) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL8348741 | 0.78 | ITGB1 (0.55) | ITGB1ITGAVITGA4ITGB7ITGB3 | |
| SCHEMBL3314968 | 0.78 | ITGB1 (0.87) | 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-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 |