Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2433971 | 0.81 | ITGA4 (0.43) | ITGB1ITGA4P2RX7 | |
| SCHEMBL14591878 | 0.78 | ITGA4 (0.40) | ITGB1ITGA4SMN1; SMN2P2RX7 | |
| SCHEMBL14592222 | 0.77 | ITGB1 (0.42) | ITGB1ITGA4MAPTP2RX7 | |
| SCHEMBL2430466 | 0.74 | ITGB1 (0.45) | AKR1C3AKR1C2ITGB1ITGA4NPC1 | |
| SCHEMBL14591756 | 0.71 | ITGB1 (0.39) | ITGB1ITGA4P2RX7 | |
| SCHEMBL2432317 | 0.69 | ITGA4 (0.57) | ITGB1ITGA4 | |
| SCHEMBL14591744 | 0.69 | ITGB1 (0.42) | ITGB1ITGA4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14591877 | 0.67 | NPC1 (0.42) | ITGB1ITGA4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14591708 | 0.67 | ITGA4 (0.53) | ITGB1ITGA4 | |
| SCHEMBL2432218 | 0.66 | ITGB1 (0.46) | 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 |