Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 20/20 | 0.51 |
| ▸ | ITGB7 | P26010 | 20/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 17/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL27503232 | 1.00 | ITGA4 (0.51) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27504312 | 0.92 | ITGA4 (0.61) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27504313 | 0.92 | ITGA4 (0.61) | ITGA4ITGB7ITGB1 | |
| SCHEMBL6235244 | 0.89 | ITGA4 (0.64) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27504629 | 0.89 | ITGA4 (0.46) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27503564 | 0.89 | ITGA4 (0.46) | ITGA4ITGB7ITGB1 | |
| SCHEMBL4892223 | 0.80 | ITGA4 (0.77) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27488885 | 0.80 | ITGA4 (0.53) | ITGA4ITGB7ITGB1 | |
| SCHEMBL27488884 | 0.80 | ITGA4 (0.53) | ITGA4ITGB7ITGB1 | |
| SCHEMBL28742827 | 0.80 | ITGB1 (0.46) | ITGA4ITGB7ITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1196682-C | 4-pyridyl-N-acyl-L-phenylalanine | HOFFMANN LA ROCHE (CH) | 2005-04-13 | — | — | CN | disclosed |
| CN-1402709-A | 4-pyridinyl-N-acyl-L-phenylalanines | HOFFMANN LA ROCHE (CH) | 2003-03-12 | — | — | CN | disclosed |