Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 14/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.41 |
| ▸ | YAP1 | P46937 | 4/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6745455 | 0.90 | ITGA4 (0.48) | ITGA4ITGB1 | |
| SCHEMBL6741690 | 0.79 | ITGA4 (0.43) | ITGA4ITGB1YAP1 | |
| SCHEMBL6742874 | 0.78 | ITGA4 (0.52) | ITGA4ITGB1 | |
| SCHEMBL6744659 | 0.74 | ITGA4 (0.46) | ITGA4ITGB1YAP1PPARG | |
| SCHEMBL6744662 | 0.74 | ITGA4 (0.46) | ITGA4ITGB1YAP1PPARG | |
| SCHEMBL6740498 | 0.73 | ITGB1 (0.50) | ITGA4ITGB1 | |
| SCHEMBL6741694 | 0.68 | YAP1 (0.45) | ITGA4ITGB1YAP1 | |
| SCHEMBL6741689 | 0.68 | ITGA4 (0.52) | ITGA4ITGB1 | |
| SCHEMBL6741692 | 0.68 | ITGA4 (0.52) | ITGA4ITGB1 | |
| SCHEMBL6741696 | 0.68 | ITGA4 (0.43) | ITGA4ITGB1YAP1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1089989-A1 | INHIBITORS OF ALPHA4BETA1 MEDIATED CELL ADHESION | PHARMACIA & UPJOHN COMPANY (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067230-A1 | INHIBITORS OF α4β1 MEDIATED CELL ADHESION | PHARMACIA & UPJOHN COMPANY (US) | 1999-12-29 | — | — | WO | disclosed |