Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 20/20 | 0.55 |
| ▸ | ITGA4 | P13612 | 20/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2978998 | 1.00 | ITGB1 (0.55) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL3832796 | 0.90 | ITGB1 (0.47) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL2980605 | 0.89 | ITGA4 (0.54) | ITGB1ITGA4CYP3A4CYP2C9 | |
| Zaurategrast SCHEMBL5571298 | 0.86 | ITGB1 (0.56) | ITGB1ITGA4CYP3A4CYP2C9 | |
| Zaurategrast SCHEMBL2976322 | 0.86 | ITGB1 (0.56) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL2974021 | 0.84 | ITGB1 (0.54) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL7265369 | 0.84 | ITGB1 (0.54) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL2990251 | 0.84 | ITGB1 (0.56) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL3832798 | 0.82 | ITGB1 (0.38) | ITGB1ITGA4 | |
| SCHEMBL6131672 | 0.82 | ITGB1 (0.38) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1780201-A2 | PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS | Celltech R&D Limited (GB) | 2007-05-02 | — | — | EP | disclosed |
| EP-1370531-B1 | PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS | CELLTECH R&D LTD (GB) | 2007-02-28 | — | — | EP | disclosed |