Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 20/20 | 0.55 |
| ▸ | ITGB1 | P05556 | 19/20 | 0.55 |
| ▸ | ITGB7 | P26010 | 7/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL27488184 | 0.86 | ITGA4 (0.58) | ITGA4ITGB1ITGB7 | |
| SCHEMBL4894583 | 0.86 | ITGA4 (0.58) | ITGA4ITGB1ITGB7 | |
| SCHEMBL27503933 | 0.82 | ITGA4 (0.52) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6237836 | 0.82 | ITGA4 (0.52) | ITGA4ITGB1ITGB7 | |
| SCHEMBL27487457 | 0.80 | ITGA4 (0.63) | ITGA4ITGB1ITGB7 | |
| SCHEMBL4888003 | 0.80 | ITGA4 (0.63) | ITGA4ITGB1ITGB7 | |
| SCHEMBL7718837 | 0.74 | ITGA4 (0.79) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6236910 | 0.74 | ITGA4 (0.55) | ITGA4ITGB1ITGB7 | |
| SCHEMBL27488186 | 0.74 | ITGA4 (0.55) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6629266 | 0.72 | ITGB1 (0.66) | 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-1244625-A1 | 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001042215-A1 | 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-06-14 | — | — | WO | disclosed |