Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 18/20 | 0.61 |
| ▸ | ITGA4 | P13612 | 18/20 | 0.61 |
| ▸ | ACE | P12821 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7557199 | 0.83 | ITGB1 (0.60) | ITGB1ITGA4 | |
| SCHEMBL6628815 | 0.82 | ITGB1 (0.66) | ITGB1ITGA4ACE | |
| SCHEMBL6631475 | 0.82 | ITGB1 (0.69) | ITGB1ITGA4 | |
| SCHEMBL7410158 | 0.81 | ITGB1 (0.59) | ITGB1ITGA4ACE | |
| SCHEMBL6632016 | 0.81 | ITGB1 (0.69) | ITGB1ITGA4 | |
| SCHEMBL6654976 | 0.79 | ITGB1 (0.70) | ITGB1ITGA4 | |
| SCHEMBL6630177 | 0.78 | ITGB1 (0.63) | ITGB1ITGA4 | |
| SCHEMBL6630847 | 0.77 | ITGB1 (0.61) | ITGB1ITGA4ACE | |
| SCHEMBL6627144 | 0.75 | ITGB1 (0.62) | ITGB1ITGA4 | |
| SCHEMBL6673062 | 0.71 | ITGB1 (0.95) | ITGB1ITGA4 |
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-1005446-A1 | N-AROYLPHENYLALANINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-07 | — | — | EP | disclosed |
| WO-1999010313-A1 | N-AROYLPHENYLALANINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1999-03-04 | — | — | WO | disclosed |