Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 13/20 | 0.54 |
| ▸ | ITGA4 | P13612 | 13/20 | 0.54 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7352276 | 0.95 | ITGB1 (0.59) | ITGB1ITGA4FAAHAPP | |
| SCHEMBL7352287 | 0.95 | ITGB1 (0.59) | ITGB1ITGA4FAAHAPP | |
| SCHEMBL7358281 | 0.93 | ITGB1 (0.51) | ITGB1ITGA4PTPN1 | |
| SCHEMBL7358264 | 0.93 | ITGB1 (0.51) | ITGB1ITGA4PTPN1 | |
| SCHEMBL7357187 | 0.91 | ITGB1 (0.51) | ITGB1ITGA4FAAH | |
| SCHEMBL7357178 | 0.91 | ITGB1 (0.51) | ITGB1ITGA4FAAH | |
| SCHEMBL7361897 | 0.85 | ITGB1 (0.51) | ITGB1ITGA4 | |
| SCHEMBL7361891 | 0.85 | ITGB1 (0.51) | ITGB1ITGA4 | |
| SCHEMBL7348625 | 0.85 | ITGB1 (0.46) | ITGB1ITGA4 | |
| SCHEMBL7348616 | 0.85 | ITGB1 (0.46) | 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 6 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 |
| 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 | disclosed |
| 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 |
| 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 | disclosed |