Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 15/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.39 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 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 | |
|---|---|---|---|---|
| SCHEMBL6744273 | 0.87 | ITGA4 (0.52) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6742904 | 0.85 | ITGA4 (0.49) | ITGA4ITGB1 | |
| SCHEMBL6744943 | 0.84 | ITGA4 (0.50) | ITGA4ITGB1ITGA5CACNA1BPREP | |
| SCHEMBL6744349 | 0.83 | FPR2 (0.46) | ITGA4ITGB1CA2 | |
| SCHEMBL6742471 | 0.82 | ITGA4 (0.52) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6745542 | 0.81 | ITGA4 (0.57) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6741663 | 0.81 | ITGA4 (0.57) | ITGA4ITGB1ITGB7 | |
| SCHEMBL7384821 | 0.81 | ITGA4 (0.45) | ITGA4ITGB1ITGA5ITGB7 | |
| SCHEMBL6742360 | 0.80 | ITGB1 (0.46) | ITGA4ITGB1ITGA5CACNA1BPREP | |
| SCHEMBL27563993 | 0.79 | ITGA4 (0.43) | ITGA4ITGB1ITGA5CACNA1BPREP |
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 |