Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.46 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 6/20 | 0.44 |
| ▸ | CTSK | P43235 | 5/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 3/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL7421167 | 0.89 | ITGA4 (0.46) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL7420188 | 0.86 | KLK5 (0.49) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL7535596 | 0.85 | ITGA4 (0.48) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL7422329 | 0.83 | ITGA4 (0.48) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL7417736 | 0.80 | ITGB1 (0.54) | ITGA4ITGB7 | |
| SCHEMBL7416021 | 0.79 | GPR142 (0.40) | ITGA4ITGB7 | |
| Hydrochloric Acid SCHEMBL7420715 | 0.79 | ALDH1A1 (0.39) | ITGA4ITGB7AKT1 | |
| SCHEMBL7411842 | 0.78 | ITGB1 (0.55) | ITGA4ITGB7 | |
| SCHEMBL14885702 | 0.78 | CTSS (0.54) | ITGA4ITGB7KLK5CTSSCTSK | |
| SCHEMBL14885705 | 0.78 | CTSS (0.54) | ITGA4ITGB7KLK5CTSSCTSK |
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 |