Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 20/20 | 0.68 |
| ▸ | ITGB1 | P05556 | 13/20 | 0.68 |
| ▸ | ITGB7 | P26010 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6375049 | 0.91 | ITGA4 (0.77) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6367713 | 0.90 | ITGA4 (0.71) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6373491 | 0.89 | ITGA4 (0.70) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6296771 | 0.89 | ITGA4 (0.70) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6372333 | 0.89 | ITGA4 (0.70) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6368938 | 0.88 | ITGA4 (0.68) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6367870 | 0.87 | ITGA4 (0.67) | ITGA4ITGB1ITGB7 | |
| SCHEMBL5686886 | 0.87 | ITGA4 (0.67) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6368662 | 0.86 | ITGA4 (0.66) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6375051 | 0.85 | ITGA4 (0.85) | ITGA4ITGB1ITGB7 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017382-B1 | BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2006-03-01 | — | — | EP | disclosed |
| EP-1001764-A4 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2005-08-24 | — | — | EP | disclosed |
| US-6903075-B1 | Heterocyclic amide compounds as cell adhesion inhibitors | MERCK & CO., INC. (US) | 2005-06-07 | — | — | US | disclosed |
| US-6291511-B1 | Biarylalkanoic acids as cell adhesion inhibitors | MERCK & CO., INC. | 2001-09-18 | — | — | US | disclosed |
| EP-1001764-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999064395-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-12-16 | — | — | WO | disclosed |
| WO-1998053814-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | disclosed |