Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 12/20 | 0.51 |
| ▸ | ITGA4 | P13612 | 12/20 | 0.51 |
| ▸ | MME | P08473 | 3/20 | 0.41 |
| ▸ | ACE | P12821 | 3/20 | 0.41 |
| ▸ | CPA1 | P15085 | 2/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 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 | |
|---|---|---|---|---|
| SCHEMBL7357187 | 1.00 | ITGB1 (0.51) | ITGB1ITGA4MMEACECPA1 | |
| SCHEMBL7352253 | 0.92 | ITGB1 (0.45) | ITGB1ITGA4BCHE | |
| SCHEMBL7352242 | 0.92 | ITGB1 (0.45) | ITGB1ITGA4BCHE | |
| SCHEMBL7353260 | 0.91 | ITGB1 (0.54) | ITGB1ITGA4FAAH | |
| SCHEMBL7352287 | 0.87 | ITGB1 (0.59) | ITGB1ITGA4FAAH | |
| SCHEMBL7352276 | 0.87 | ITGB1 (0.59) | ITGB1ITGA4FAAH | |
| SCHEMBL7358281 | 0.86 | ITGB1 (0.51) | ITGB1ITGA4 | |
| SCHEMBL7358264 | 0.86 | ITGB1 (0.51) | ITGB1ITGA4 | |
| SCHEMBL7356671 | 0.79 | ITGB1 (0.67) | ITGB1ITGA4 | |
| SCHEMBL7356657 | 0.79 | ITGB1 (0.67) | 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 |