Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL2982291 | 1.00 | ITGB1 (0.49) | ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL2986765 | 0.99 | ITGB1 (0.48) | ITGB1ITGA4 | |
| SCHEMBL2976081 | 0.92 | ITGB1 (0.49) | ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL5573468 | 0.92 | ITGB1 (0.49) | ITGB1ITGA4 | |
| SCHEMBL3835185 | 0.90 | ITGB1 (0.42) | ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL3831968 | 0.89 | ITGB1 (0.41) | ITGB1ITGA4 | |
| SCHEMBL5669327 | 0.89 | ITGB1 (0.47) | ITGB1ITGA4 | |
| SCHEMBL5670531 | 0.87 | ITGB1 (0.46) | ITGB1ITGA4 | |
| SCHEMBL2990133 | 0.86 | ITGB1 (0.49) | ITGB1ITGA4 | |
| SCHEMBL2982582 | 0.85 | ITGB1 (0.49) | 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-1370531-A1 | PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS | Celltech R & D Limited (GB) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002068393-A1 | PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS | CELLTECH R & D LIMITED (GB) | 2002-09-06 | — | — | WO | disclosed |