Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 14/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 12/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | KLK1 | P06870 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6561165 | 1.00 | KMT2A (0.37) | KMT2ANPSR1ITGA4ITGB1KLKB1 | |
| SCHEMBL6560142 | 0.92 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6560137 | 0.92 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6563228 | 0.92 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6561140 | 0.88 | HTT (0.43) | KMT2AITGA4ITGB1TSHRALDH1A1 | |
| SCHEMBL6561143 | 0.88 | HTT (0.43) | KMT2AITGA4ITGB1TSHRALDH1A1 | |
| SCHEMBL6561286 | 0.85 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6561290 | 0.85 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6563252 | 0.83 | ITGB1 (0.54) | ITGA4ITGB1 | |
| SCHEMBL6562648 | 0.83 | ITGB1 (0.54) | ITGA4ITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1144365-B1 | INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2004-03-17 | — | — | EP | disclosed |