Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 15/20 | 0.59 |
| ▸ | ITGB1 | P05556 | 14/20 | 0.59 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424832 | 0.96 | ITGA4 (0.57) | ITGA4ITGB1P2RX7NPC1 | |
| SCHEMBL7425004 | 0.94 | ITGA4 (0.60) | ITGA4ITGB1P2RX7 | |
| SCHEMBL7535872 | 0.90 | ITGA4 (0.58) | ITGA4ITGB1P2RX7 | |
| SCHEMBL7428863 | 0.89 | ITGA4 (0.61) | ITGA4ITGB1P2RX7 | |
| SCHEMBL7425213 | 0.86 | ITGB1 (0.49) | ITGA4ITGB1 | |
| SCHEMBL7430128 | 0.84 | ITGA4 (0.59) | ITGA4ITGB1P2RX7SIGMAR1 | |
| SCHEMBL7393051 | 0.84 | ITGB1 (0.47) | ITGA4ITGB1 | |
| SCHEMBL7431406 | 0.84 | ITGA4 (0.63) | ITGA4ITGB1P2RX7SIGMAR1 | |
| SCHEMBL7425429 | 0.83 | ITGA4 (0.56) | ITGA4ITGB1P2RX7SIGMAR1 | |
| SCHEMBL7426901 | 0.82 | ITGA4 (0.55) | ITGA4ITGB1P2RX7SIGMAR1 |
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 |