Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 16/20 | 0.59 |
| ▸ | ITGB1 | P05556 | 10/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913379 | 0.87 | CYP3A4 (0.64) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL4316900 | 0.87 | CYP3A4 (0.64) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL13932617 | 0.87 | CYP3A4 (0.51) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL13913382 | 0.86 | ITGA4 (0.48) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL8259983 | 0.86 | ITGA4 (0.48) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL6743406 | 0.85 | ITGB1 (0.50) | ITGA4ITGB1NPC1MEN1KMT2A | |
| SCHEMBL750225 | 0.84 | KMT2A (0.53) | NPC1MEN1KMT2A | |
| SCHEMBL13913390 | 0.83 | ITGA4 (0.57) | ITGA4ITGB1CYP3A4 | |
| SCHEMBL4316611 | 0.82 | ITGB1 (0.59) | ITGA4ITGB1 | |
| SCHEMBL13913372 | 0.82 | ITGB1 (0.59) | ITGA4ITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006113199-A1 | VLA-4 ANTAGONISTS | MERCK & CO., INC. (US) | 2006-10-26 | — | — | WO | disclosed |