Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7426905 | 0.95 | ACHE (0.51) | ACHEITGB1ITGA4OPRM1GFER | |
| SCHEMBL7425433 | 0.91 | ACHE (0.52) | ACHEITGB1ITGA4OPRM1SIGMAR1 | |
| SCHEMBL7431414 | 0.87 | ACHE (0.54) | ACHEITGB1ITGA4SIGMAR1MEN1 | |
| SCHEMBL7485087 | 0.85 | ITGB1 (0.44) | ITGB1ITGA4OPRM1SIGMAR1GFER | |
| SCHEMBL7430185 | 0.85 | ITGB1 (0.45) | ACHEITGB1ITGA4SIGMAR1MEN1 | |
| SCHEMBL7435023 | 0.84 | OPRM1 (0.49) | ITGB1ITGA4OPRM1GFER | |
| SCHEMBL7426841 | 0.83 | ITGA4 (0.51) | ACHEITGB1ITGA4SIGMAR1MEN1 | |
| SCHEMBL7393503 | 0.83 | ACHE (0.49) | ACHEITGB1ITGA4SIGMAR1MEN1 | |
| SCHEMBL7428874 | 0.82 | ACHE (0.47) | ACHEITGB1ITGA4MEN1GAA | |
| SCHEMBL7535877 | 0.82 | ITGA4 (0.43) | ACHEITGB1ITGA4MEN1GAA |
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 |