Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.54 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.54 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.54 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 5/20 | 0.45 |
| ▸ | GRB2 | P62993 | 1/20 | 0.45 |
| ▸ | TPH1 | P17752 | 6/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27503244 | 1.00 | ITGB1 (0.54) | ITGB1ITGA4ITGB7SLC7A5PTGS1 | |
| SCHEMBL6236132 | 0.86 | ITGA4 (0.51) | ITGB1ITGA4ITGB7PTGS2 | |
| SCHEMBL27522587 | 0.86 | ITGA4 (0.51) | ITGB1ITGA4ITGB7PTGS2 | |
| Hydrochloric Acid SCHEMBL27489194 | 0.85 | ITGA4 (0.50) | ITGB1ITGA4ITGB7TPH1PTGS2 | |
| Hydrochloric Acid SCHEMBL6236128 | 0.85 | ITGA4 (0.50) | ITGB1ITGA4ITGB7TPH1PTGS2 | |
| SCHEMBL25146739 | 0.80 | ITGB1 (0.49) | ITGB1ITGA4ITGB7PTGS1KDM4E | |
| SCHEMBL27488546 | 0.79 | ITGB1 (0.59) | ITGB1ITGA4ITGB7SLC7A5PTGS1 | |
| SCHEMBL27488545 | 0.79 | ITGB1 (0.59) | ITGB1ITGA4ITGB7SLC7A5PTGS1 | |
| SCHEMBL180446 | 0.78 | SLC7A5 (0.70) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL27494301 | 0.78 | SLC7A5 (0.50) | ITGB1ITGA4ITGB7SLC7A5PTGS1 |
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 |