Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 5/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7352253 | 1.00 | ITGB1 (0.45) | ITGB1ITGA4HDAC1HDAC6PPARG | |
| SCHEMBL7357178 | 0.92 | ITGB1 (0.51) | ITGB1ITGA4BCHE | |
| SCHEMBL7357187 | 0.92 | ITGB1 (0.51) | ITGB1ITGA4BCHE | |
| SCHEMBL7361891 | 0.88 | ITGB1 (0.51) | ITGB1ITGA4BIRC2CNR2POLB | |
| SCHEMBL7361897 | 0.88 | ITGB1 (0.51) | ITGB1ITGA4BIRC2CNR2POLB | |
| SCHEMBL7348616 | 0.87 | ITGB1 (0.46) | ITGB1ITGA4BIRC2CNR2POLB | |
| SCHEMBL7348625 | 0.87 | ITGB1 (0.46) | ITGB1ITGA4BIRC2CNR2POLB | |
| SCHEMBL7353260 | 0.82 | ITGB1 (0.54) | ITGB1ITGA4 | |
| SCHEMBL7362260 | 0.80 | ITGB1 (0.57) | ITGB1ITGA4 | |
| SCHEMBL7362255 | 0.80 | ITGB1 (0.57) | 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 1 patent. 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 | disclosed |