Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 18/20 | 0.60 |
| ▸ | ITGB1 | P05556 | 11/20 | 0.60 |
| ▸ | ITGB7 | P26010 | 6/20 | 0.39 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5323592 | 1.00 | ITGA4 (0.60) | ITGA4ITGB1ITGB7CCKBRMEN1 | |
| SCHEMBL5206536 | 0.87 | ITGA4 (0.60) | ITGA4ITGB1 | |
| SCHEMBL6375049 | 0.84 | ITGA4 (0.77) | ITGA4ITGB1ITGB7CCKBRMEN1 | |
| SCHEMBL6367713 | 0.83 | ITGA4 (0.71) | ITGA4ITGB1ITGB7CCKBR | |
| SCHEMBL5687037 | 0.82 | ITGA4 (0.64) | ITGA4ITGB1ITGB7 | |
| SCHEMBL5687044 | 0.82 | ITGA4 (0.64) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6373491 | 0.82 | ITGA4 (0.70) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6372333 | 0.82 | ITGA4 (0.70) | ITGA4ITGB1ITGB7CCKBR | |
| SCHEMBL6296771 | 0.82 | ITGA4 (0.70) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6368938 | 0.81 | ITGA4 (0.68) | ITGA4ITGB1ITGB7CCKBRMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1389200-A4 | SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | disclosed |
| EP-1389200-A1 | SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002074761-A1 | SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2002-09-26 | — | — | WO | disclosed |