Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.57 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.57 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7387042 | 0.91 | ITGB1 (0.67) | SIGMAR1ITGB1ITGA4TSHRSMN1; SMN2 | |
| SCHEMBL7425870 | 0.89 | SIGMAR1 (0.72) | SIGMAR1ITGB1ITGA4TSHR | |
| SCHEMBL7425429 | 0.89 | ITGA4 (0.56) | SIGMAR1ITGB1ITGA4 | |
| SCHEMBL7430173 | 0.89 | ITGA4 (0.54) | SIGMAR1ITGB1ITGA4 | |
| SCHEMBL7430374 | 0.85 | ITGA4 (0.64) | SIGMAR1ITGB1ITGA4TSHR | |
| SCHEMBL7426901 | 0.85 | ITGA4 (0.55) | SIGMAR1ITGB1ITGA4 | |
| SCHEMBL7422099 | 0.83 | ITGA4 (0.55) | SIGMAR1ITGB1ITGA4TSHRSMN1; SMN2 | |
| SCHEMBL7392683 | 0.82 | ITGA4 (0.57) | SIGMAR1ITGB1ITGA4 | |
| SCHEMBL7423342 | 0.82 | ITGA4 (0.62) | SIGMAR1ITGB1ITGA4 | |
| SCHEMBL7429741 | 0.82 | SIGMAR1 (0.51) | SIGMAR1ITGB1ITGA4SMN1; SMN2 |
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 |