Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 14/20 | 0.58 |
| ▸ | ITGA4 | P13612 | 14/20 | 0.58 |
| ▸ | ITGB7 | P26010 | 14/20 | 0.58 |
| ▸ | CTSC | P53634 | 6/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5160248 | 0.99 | ITGB1 (0.57) | ITGB1ITGA4ITGB7CTSCCTSK | |
| Hydrochloric Acid SCHEMBL7423666 | 0.99 | ITGB1 (0.57) | ITGB1ITGA4ITGB7CTSCCTSK | |
| SCHEMBL27495108 | 0.80 | CTSC (0.44) | ITGB1ITGA4ITGB7CTSCCTSK | |
| SCHEMBL7971253 | 0.77 | CTSC (0.58) | ITGB1ITGA4CTSCCTSKKCNH2 | |
| SCHEMBL5163361 | 0.77 | ITGA4 (0.55) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6367397 | 0.77 | CTSC (0.56) | CTSCCTSKKCNH2 | |
| SCHEMBL6367393 | 0.77 | CTSC (0.56) | CTSCCTSKKCNH2 | |
| SCHEMBL22127884 | 0.77 | CTSC (0.56) | CTSCCTSKKCNH2 | |
| SCHEMBL21808154 | 0.77 | CTSC (0.68) | CTSCCTSKKCNH2 | |
| SCHEMBL601567 | 0.77 | CTSC (0.68) | CTSCCTSKKCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1237878-B1 | 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| EP-1237878-A2 | 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-09-11 | — | — | EP | disclosed |
| US-6380387-B1 | ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS | HOFFMANN-LA ROCHE INC. | 2002-04-30 | — | — | US | disclosed |
| WO-2001042225-A2 | 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-06-14 | — | — | WO | disclosed |