Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 15/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 10/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL6744943 | 0.94 | ITGA4 (0.50) | ITGA4ITGB1MMP9GAARAB9A | |
| SCHEMBL6744349 | 0.93 | FPR2 (0.46) | ITGA4ITGB1RAB9ASMN1; SMN2EPHX2 | |
| SCHEMBL27563993 | 0.91 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6742360 | 0.88 | ITGB1 (0.46) | ITGA4ITGB1 | |
| SCHEMBL6741830 | 0.88 | ITGA4 (0.54) | ITGA4ITGB1GAANPSR1MAPT | |
| SCHEMBL6745542 | 0.86 | ITGA4 (0.57) | ITGA4ITGB1 | |
| SCHEMBL6741663 | 0.86 | ITGA4 (0.57) | ITGA4ITGB1 | |
| SCHEMBL6745382 | 0.85 | ITGA4 (0.39) | ITGA4ITGB1 | |
| SCHEMBL6744273 | 0.85 | ITGA4 (0.52) | ITGA4ITGB1 | |
| SCHEMBL6741921 | 0.83 | ITGB1 (0.47) | ITGA4ITGB1MAPTRAB9A |
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 |