Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL7355033 | 0.92 | ITGB1 (0.49) | ITGB1ITGA4 | |
| SCHEMBL7355330 | 0.83 | ITGB1 (0.52) | ITGB1ITGA4 | |
| SCHEMBL7353907 | 0.82 | ITGB1 (0.54) | ITGB1ITGA4 | |
| SCHEMBL7360295 | 0.82 | ITGB1 (0.59) | ITGB1ITGA4 | |
| SCHEMBL7356290 | 0.81 | ITGB1 (0.58) | ITGB1ITGA4 | |
| SCHEMBL3935860 | 0.80 | ITGB1 (0.61) | ITGB1ITGA4 | |
| SCHEMBL3936774 | 0.80 | ITGB1 (0.56) | ITGB1ITGA4 | |
| SCHEMBL3944022 | 0.79 | ITGB1 (0.55) | ITGB1ITGA4 | |
| SCHEMBL5506379 | 0.77 | ITGB1 (0.58) | ITGB1ITGA4 | |
| SCHEMBL3943235 | 0.75 | ITGB1 (0.63) | ITGB1ITGA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6166050-A | 3,4-diamino-3-cyclobutene-1,2-dione derivatives which inhibit leukocyte adhesion mediated by VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-12-26 | — | — | US | claimed |
| US-6166050-A | 3,4-diamino-3-cyclobutene-1,2-dione derivatives which inhibit leukocyte adhesion mediated by VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-12-26 | — | — | US | disclosed |