Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 16/20 | 0.53 |
| ▸ | ITGB1 | P05556 | 15/20 | 0.53 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6740650 | 0.94 | ITGA4 (0.59) | ITGA4ITGB1ITGB7ITGA2 | |
| SCHEMBL6742879 | 0.93 | ITGA4 (0.51) | ITGA4ITGB1ITGB7ALDH1A1ITGA2 | |
| SCHEMBL7434727 | 0.89 | ITGA4 (0.48) | ITGA4ITGB1ITGB7ALDH1A1ITGA2 | |
| SCHEMBL6739377 | 0.89 | ITGB1 (0.50) | ITGA4ITGB1ITGB7ITGA2 | |
| SCHEMBL6742321 | 0.89 | ITGB1 (0.50) | ITGA4ITGB1ITGB7ITGA2 | |
| SCHEMBL7423777 | 0.87 | ITGB1 (0.51) | ITGA4ITGB1ITGB7ITGA2 | |
| SCHEMBL6744901 | 0.86 | ITGA4 (0.49) | ITGA4ITGB1ITGB7ITGA2 | |
| SCHEMBL6740760 | 0.85 | ITGA4 (0.48) | ITGA4ITGB1ITGB7ITGA2 | |
| SCHEMBL6744310 | 0.85 | ITGA4 (0.48) | ITGA4ITGB1ITGB7ITGA2 | |
| SCHEMBL6745542 | 0.83 | ITGA4 (0.57) | ITGA4ITGB1ITGB7ITGA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6685617-B1 | 4-(((-1-CARBOXY-2-(4-((2,6-DICHLOROBENZOYL)AMINE)PHENYL)ETHYL) AMINO)CARBONYL)-3-OXO-3-THIAZOLIDINEBUTANOIC ACID, USED AS ANTAGONISTS FOR CELLULAR ADHESION MOLECULES, AND ADMINISTERED AS ANTIINFLAMMATORY AGENTS | PHARMACIA & UPJOHN COMPANY | 2004-02-03 | — | — | US | disclosed |