Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 12/20 | 0.53 |
| ▸ | ITGA4 | P13612 | 12/20 | 0.53 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 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 | |
|---|---|---|---|---|
| SCHEMBL2429881 | 0.91 | ITGB1 (0.65) | ITGB1ITGA4KDM1AACKR3BCHE | |
| SCHEMBL2429858 | 0.90 | ITGB1 (0.55) | ITGB1ITGA4KDM1AACKR3BCHE | |
| SCHEMBL2432479 | 0.89 | ITGB1 (0.58) | ITGB1ITGA4KDM1AACKR3CNR2 | |
| SCHEMBL7265189 | 0.85 | ITGB1 (0.52) | ITGB1ITGA4KDM1AACKR3BCHE | |
| SCHEMBL2432754 | 0.80 | ITGB1 (0.66) | ITGB1ITGA4KDM1AACKR3BCHE | |
| SCHEMBL2433484 | 0.80 | ITGB1 (0.68) | ITGB1ITGA4KDM1AACKR3BCHE | |
| SCHEMBL2433487 | 0.80 | ITGB1 (0.68) | ITGB1ITGA4KDM1AACKR3BCHE | |
| SCHEMBL2431891 | 0.80 | ITGB1 (0.68) | ITGB1ITGA4KDM1AACKR3BCHE | |
| SCHEMBL71313 | 0.80 | ITGB1 (0.64) | ITGB1ITGA4KDM1AACKR3BCHE | |
| SCHEMBL71314 | 0.80 | ITGB1 (0.64) | ITGB1ITGA4KDM1AACKR3BCHE |
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 |