Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.42 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL7539587 | 0.95 | ACHE (0.47) | ACHEITGB1ITGA4OPRM1GFER | |
| SCHEMBL7425433 | 0.95 | ACHE (0.52) | ACHEITGB1ITGA4OPRM1 | |
| SCHEMBL7431414 | 0.90 | ACHE (0.54) | ACHEITGB1ITGA4 | |
| SCHEMBL7430185 | 0.88 | ITGB1 (0.45) | ACHEITGB1ITGA4 | |
| SCHEMBL7435023 | 0.87 | OPRM1 (0.49) | ITGB1ITGA4OPRM1GFER | |
| SCHEMBL7393503 | 0.86 | ACHE (0.49) | ACHEITGB1ITGA4 | |
| SCHEMBL7428874 | 0.85 | ACHE (0.47) | ACHEITGB1ITGA4 | |
| SCHEMBL7423048 | 0.84 | ITGB1 (0.44) | ITGB1ITGA4GFER | |
| SCHEMBL7485087 | 0.83 | ITGB1 (0.44) | ITGB1ITGA4OPRM1GFER | |
| SCHEMBL7425014 | 0.83 | ACHE (0.46) | ACHEITGB1ITGA4 |
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 |