Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.55 |
| ▸ | ITGAV | P06756 | 1/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.35 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3321001 | 0.86 | ITGB1 (0.60) | ITGB1ITGAVABL1PPARGPPARD | |
| SCHEMBL3314709 | 0.85 | ITGB1 (0.63) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL3313415 | 0.83 | ITGB1 (0.59) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL4750010 | 0.83 | ITGB1 (0.59) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL13398404 | 0.82 | ITGB1 (0.64) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL6156934 | 0.81 | ITGB1 (0.51) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL3314715 | 0.79 | ITGB1 (0.61) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL3316824 | 0.79 | ITGB1 (0.56) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL3319924 | 0.78 | ITGB1 (0.80) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL8351034 | 0.78 | ITGB1 (0.60) | ITGB1ITGAVABL1ITGA4ITGB7 |
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 |