Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 11/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 11/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 9/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 3/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5163365 | 0.93 | ITGA4 (0.42) | ITGA4ITGB7ITGB1SCN9ASCN3A | |
| SCHEMBL5162144 | 0.74 | ITGB1 (0.58) | ITGA4ITGB7ITGB1CTSCCTSK | |
| SCHEMBL3165698 | 0.73 | CTSC (0.43) | CTSCSCN4AHTR2C | |
| Hydrochloric Acid SCHEMBL5160248 | 0.73 | ITGB1 (0.57) | ITGA4ITGB7ITGB1CTSCCTSK | |
| Hydrochloric Acid SCHEMBL7423666 | 0.73 | ITGB1 (0.57) | ITGA4ITGB7ITGB1CTSCCTSK | |
| SCHEMBL5163463 | 0.72 | ITGA4 (0.55) | ITGA4ITGB7ITGB1CTSK | |
| SCHEMBL15136783 | 0.72 | ITGA4 (0.55) | ITGA4ITGB7ITGB1CTSK | |
| SCHEMBL5162831 | 0.70 | ITGB1 (0.50) | ITGA4ITGB7ITGB1 | |
| SCHEMBL5163380 | 0.69 | ITGA4 (0.53) | ITGA4ITGB7ITGB1 | |
| SCHEMBL20387784 | 0.69 | ITGA4 (0.53) | 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 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 |