Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 20/20 | 0.74 |
| ▸ | ITGB7 | P26010 | 20/20 | 0.74 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8282103 | 0.85 | ITGA4 (0.86) | ITGA4ITGB7ITGB1 | |
| SCHEMBL8282104 | 0.85 | ITGA4 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL8282997 | 0.84 | ITGA4 (0.84) | ITGA4ITGB7ITGB1 | |
| SCHEMBL24946012 | 0.80 | ITGA4 (0.83) | ITGA4ITGB7ITGB1 | |
| SCHEMBL8282995 | 0.79 | ITGA4 (0.73) | ITGA4ITGB7ITGB1 | |
| SCHEMBL6469692 | 0.79 | ITGA4 (0.84) | ITGA4ITGB7ITGB1 | |
| SCHEMBL24946013 | 0.76 | ITGA4 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL28912771 | 0.76 | CTSL (0.53) | — | |
| SCHEMBL20415660 | 0.76 | CTSL (0.53) | — | |
| SCHEMBL31481650 | 0.75 | ITGA4 (0.67) | ITGA4ITGB7ITGB1 |
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-2005077915-A1 | PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-08-25 | — | — | WO | disclosed |