Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 11/20 | 0.53 |
| ▸ | ITGA4 | P13612 | 11/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | DDX3X | O00571 | 2/20 | 0.47 |
| ▸ | CCR3 | P51677 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7429189 | 0.90 | ITGB1 (0.62) | ITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL7425032 | 0.86 | ITGA4 (0.64) | ITGB1ITGA4SMN1; SMN2MAPT | |
| SCHEMBL7430000 | 0.85 | ITGB1 (0.57) | ITGB1ITGA4SMN1; SMN2TP53MAPT | |
| SCHEMBL7426837 | 0.81 | ITGA4 (0.60) | ITGB1ITGA4MAPT | |
| SCHEMBL7430173 | 0.78 | ITGA4 (0.54) | ITGB1ITGA4 | |
| SCHEMBL7387069 | 0.77 | DDX3X (0.71) | ITGB1ITGA4DDX3X | |
| SCHEMBL7427895 | 0.77 | SMN1; SMN2 (0.49) | ITGB1ITGA4SMN1; SMN2DDX3XCCR3 | |
| SCHEMBL7427105 | 0.75 | ITGB1 (0.51) | ITGB1ITGA4DDX3XMAPT | |
| SCHEMBL7387042 | 0.74 | ITGB1 (0.67) | ITGB1ITGA4SMN1; SMN2MAPK1 | |
| SCHEMBL7429572 | 0.74 | ITGA4 (0.61) | ITGB1ITGA4 |
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 |