Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 17/20 | 0.53 |
| ▸ | ITGA4 | P13612 | 17/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7423932 | 0.96 | ITGB1 (0.52) | ITGB1ITGA4 | |
| SCHEMBL7419553 | 0.82 | ITGB1 (0.74) | ITGB1ITGA4KDM4EALDH1A1 | |
| SCHEMBL7394433 | 0.80 | ITGB1 (0.61) | ITGB1ITGA4ALDH1A1 | |
| SCHEMBL7425123 | 0.78 | ITGB1 (0.72) | ITGB1ITGA4 | |
| SCHEMBL7428355 | 0.78 | ITGB1 (0.59) | ITGB1ITGA4 | |
| SCHEMBL7431859 | 0.77 | ITGB1 (0.60) | ITGB1ITGA4ALDH1A1 | |
| SCHEMBL7423940 | 0.76 | ITGB1 (0.58) | ITGB1ITGA4 | |
| SCHEMBL7421551 | 0.75 | ITGB1 (0.51) | ITGB1ITGA4 | |
| SCHEMBL29612679 | 0.74 | ITGB1 (0.67) | ITGB1ITGA4KDM4E | |
| SCHEMBL3485567 | 0.74 | ITGB1 (0.67) | ITGB1ITGA4KDM4E |
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 |