Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 6/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 6/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7423048 | 0.95 | ITGB1 (0.44) | THRBITGB1ITGA4NPSR1POLB | |
| SCHEMBL7419948 | 0.92 | ITGB1 (0.53) | ITGB1ITGA4NPSR1POLBL3MBTL1 | |
| SCHEMBL7420801 | 0.88 | ITGB1 (0.47) | ITGB1ITGA4SIGMAR1MEN1GAA | |
| SCHEMBL7424847 | 0.86 | ITGB1 (0.46) | THRBITGB1ITGA4NPSR1SIGMAR1 | |
| SCHEMBL7428920 | 0.85 | ITGB1 (0.47) | ITGB1ITGA4ALDH1A1MEN1GAA | |
| SCHEMBL7430185 | 0.84 | ITGB1 (0.45) | THRBITGB1ITGA4NPSR1POLB | |
| SCHEMBL7425433 | 0.84 | ACHE (0.52) | THRBITGB1ITGA4NPSR1SIGMAR1 | |
| SCHEMBL7428617 | 0.83 | OPRM1 (0.49) | THRBITGB1ITGA4SIGMAR1 | |
| SCHEMBL7391216 | 0.83 | ITGB1 (0.45) | THRBITGB1ITGA4NPSR1L3MBTL1 | |
| SCHEMBL7392261 | 0.81 | THRB (0.47) | THRBITGB1ITGA4NPSR1POLB |
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 |