Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.52 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.47 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.47 |
| ▸ | ITGAL | P20701 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.38 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7418261 | 0.93 | ITGA4 (0.61) | ITGB1ITGA4ITGB2ICAM1ITGAL | |
| SCHEMBL7416080 | 0.88 | ITGB1 (0.52) | ITGB1ITGA4ITGB2ICAM1ITGAL | |
| SCHEMBL7415187 | 0.81 | ITGB1 (0.61) | ITGB1ITGA4ITGB2ICAM1ITGAL | |
| SCHEMBL7421167 | 0.79 | ITGA4 (0.46) | ITGA4HDAC1HDAC6 | |
| SCHEMBL6239694 | 0.75 | ITGB1 (0.68) | ITGB1ITGA4ITGB2ICAM1ITGAL | |
| SCHEMBL6240483 | 0.75 | ITGA4 (0.87) | ITGB1ITGA4ITGB2ICAM1ITGAL | |
| Hydrochloric Acid SCHEMBL7411694 | 0.75 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL4648806 | 0.74 | ITGB1 (0.49) | ITGB1ITGA4ITGB2ICAM1ITGAL | |
| SCHEMBL4648805 | 0.74 | ITGB1 (0.49) | ITGB1ITGA4ITGB2ICAM1ITGAL | |
| SCHEMBL4649446 | 0.72 | GAA (0.47) | ITGB1ITGA4ITGB2ICAM1ITGAL |
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 |