Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 17/20 | 0.55 |
| ▸ | ITGB1 | P05556 | 16/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7427552 | 0.95 | ITGA4 (0.56) | ITGA4ITGB1EPHX2SMN1; SMN2SIGMAR1 | |
| SCHEMBL7425825 | 0.95 | ITGA4 (0.55) | ITGA4ITGB1 | |
| SCHEMBL7540023 | 0.88 | ITGA4 (0.54) | ITGA4ITGB1 | |
| SCHEMBL7484999 | 0.87 | ITGA4 (0.54) | ITGA4ITGB1EPHX2SIGMAR1 | |
| SCHEMBL7434801 | 0.86 | ITGA4 (0.55) | ITGA4ITGB1 | |
| SCHEMBL7427700 | 0.85 | ITGA4 (0.54) | ITGA4ITGB1EPHX2SMN1; SMN2SIGMAR1 | |
| SCHEMBL7427272 | 0.85 | ITGB1 (0.56) | ITGA4ITGB1 | |
| SCHEMBL7391565 | 0.84 | ITGA4 (0.55) | ITGA4ITGB1 | |
| SCHEMBL7424395 | 0.82 | ITGA4 (0.56) | ITGA4ITGB1EPHX2SMN1; SMN2SIGMAR1 | |
| SCHEMBL7432402 | 0.82 | ITGA4 (0.54) | ITGA4ITGB1EPHX2SIGMAR1 |
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-1999054321-A1 | SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS | AVENTIS PHARMA LIMITED (GB) | 1999-10-28 | — | — | WO | disclosed |