Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 19/20 | 0.58 |
| ▸ | ITGA4 | P13612 | 19/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360295 | 0.94 | ITGB1 (0.59) | ITGB1ITGA4HIF1AEPAS1 | |
| SCHEMBL7354734 | 0.92 | ITGB1 (0.49) | ITGB1ITGA4HIF1AEPAS1 | |
| SCHEMBL28746750 | 0.86 | ITGB1 (0.61) | ITGB1ITGA4 | |
| SCHEMBL7352232 | 0.86 | ITGB1 (0.61) | ITGB1ITGA4 | |
| SCHEMBL7348957 | 0.86 | ITGB1 (0.49) | ITGB1ITGA4HIF1AEPAS1 | |
| SCHEMBL27553326 | 0.85 | ITGB1 (0.59) | ITGB1ITGA4 | |
| SCHEMBL7352258 | 0.85 | ITGB1 (0.59) | ITGB1ITGA4 | |
| SCHEMBL7349115 | 0.84 | ITGB1 (0.62) | ITGB1ITGA4 | |
| SCHEMBL27573744 | 0.84 | ITGB1 (0.62) | ITGB1ITGA4 | |
| SCHEMBL7350432 | 0.81 | ITGB1 (0.59) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140792-A1 | 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-10 | — | — | EP | 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 | claimed |
| WO-2000035855-A1 | 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-22 | — | — | WO | 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 |