Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SI | P14410 | 2/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2437936 | 0.89 | ITGB1 (0.49) | ITGB1ITGA4KDM4EALDH1A1CDK9 | |
| SCHEMBL2430872 | 0.81 | ITGB1 (0.58) | ITGB1ITGA4KDM4EALDH1A1HPGD | |
| SCHEMBL2429595 | 0.77 | ITGB1 (0.56) | ITGB1ITGA4KDM4EALDH1A1HPGD | |
| SCHEMBL2434007 | 0.74 | NPC1 (0.44) | ITGB1ITGA4KDM4EALDH1A1HPGD | |
| SCHEMBL2430981 | 0.71 | ITGB1 (0.49) | ITGB1ITGA4KDM4EALDH1A1CDK9 | |
| SCHEMBL14591811 | 0.71 | ITGB1 (0.50) | ITGB1ITGA4CYP3A4CDK2 | |
| SCHEMBL2687045 | 0.71 | KDM4E (0.64) | KDM4EALDH1A1SMN1; SMN2NPC1GAA | |
| SCHEMBL2435546 | 0.71 | ITGB1 (0.48) | ITGB1ITGA4 | |
| SCHEMBL2432757 | 0.71 | ITGB1 (0.61) | ITGB1ITGA4KDM4EALDH1A1CDK9 | |
| SCHEMBL14591814 | 0.70 | ITGB1 (0.45) | ITGB1ITGA4KDM4EALDH1A1HPGD |
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 |