Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 18/20 | 0.57 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5151939 | 0.94 | ITGA4 (0.50) | ITGA4ITGB1 | |
| SCHEMBL6210735 | 0.94 | ITGA4 (0.50) | ITGA4ITGB1 | |
| SCHEMBL6210969 | 0.91 | ITGA4 (0.58) | ITGA4ITGB1 | |
| SCHEMBL6212266 | 0.91 | ITGA4 (0.58) | ITGA4ITGB1SMN1; SMN2 | |
| SCHEMBL5151727 | 0.91 | ITGA4 (0.51) | ITGA4ITGB1 | |
| SCHEMBL5152442 | 0.90 | ITGA4 (0.57) | ITGA4ITGB1SMN1; SMN2 | |
| SCHEMBL6543595 | 0.90 | ITGA4 (0.56) | ITGA4ITGB1SMN1; SMN2 | |
| SCHEMBL6543408 | 0.89 | ITGA4 (0.55) | ITGA4ITGB1SMN1; SMN2 | |
| SCHEMBL6966519 | 0.88 | ITGA4 (0.49) | ITGA4ITGB1 | |
| SCHEMBL5153516 | 0.88 | ITGA4 (0.48) | ITGA4ITGB1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | disclosed |
| EP-1189612-A1 | VLA-4 INHIBITOR COMPOUNDS | Daiichi Pharmaceutical Co., Ltd. (JP) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000206-A1 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-04 | — | — | WO | disclosed |