Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 11/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 9/20 | 0.50 |
| ▸ | ITGB7 | P26010 | 8/20 | 0.41 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4625291 | 0.86 | ITGB1 (0.39) | ITGA4ITGB1ITGB7HSD17B1KDM4E | |
| SCHEMBL4624872 | 0.85 | ITGB1 (0.51) | ITGA4ITGB1ITGB7FABP4LMNA | |
| SCHEMBL4625005 | 0.80 | ITGB1 (0.40) | ITGA4ITGB1ITGB7ALDH1A1POLB | |
| SCHEMBL3314549 | 0.78 | ITGB1 (0.61) | ITGA4ITGB1ITGB7 | |
| SCHEMBL3319930 | 0.77 | ITGB1 (0.61) | ITGA4ITGB1ITGB7KDM4EALDH1A1 | |
| SCHEMBL3312750 | 0.76 | ITGA4 (0.58) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6142440 | 0.76 | ITGB1 (0.42) | ITGA4ITGB1ITGB7KDM4EALDH1A1 | |
| SCHEMBL4627490 | 0.73 | ITGA4 (0.49) | ITGA4ITGB1ITGB7LMNAMAPT | |
| SCHEMBL1028112 | 0.72 | ITGB1 (0.55) | ITGA4ITGB1ITGB7KDM4EALDH1A1 | |
| SCHEMBL13398463 | 0.71 | ITGB1 (0.50) | ITGA4ITGB1ITGB7 |
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 |