Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 5/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 3/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.35 |
| ▸ | UTRN | P46939 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2430981 | 0.93 | ITGB1 (0.49) | ITGB1ITGA4MAOAADRA1AMET | |
| SCHEMBL2435828 | 0.83 | MAOA (0.53) | ITGB1ITGA4MAOAADRA1AMET | |
| SCHEMBL2433950 | 0.81 | ITGB1 (0.59) | ITGB1ITGA4IDO1TDO2MET | |
| SCHEMBL14591805 | 0.81 | ITGB1 (0.55) | ITGB1ITGA4IDO1TDO2MET | |
| SCHEMBL2433361 | 0.79 | ITGB1 (0.47) | ITGB1ITGA4MAOAADRA1AAKR1C3 | |
| SCHEMBL14626706 | 0.79 | ITGB1 (0.57) | ITGB1ITGA4IDO1TDO2MET | |
| SCHEMBL14592396 | 0.77 | ITGB1 (0.57) | ITGB1ITGA4IDO1TDO2MET | |
| SCHEMBL12327757 | 0.77 | ITGB1 (0.51) | ITGB1ITGA4IDO1TDO2MET | |
| SCHEMBL2437936 | 0.77 | ITGB1 (0.49) | ITGB1ITGA4MET | |
| SCHEMBL2434541 | 0.75 | ITGB1 (0.60) | ITGB1ITGA4 |
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-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |