Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 19/20 | 1.00 |
| ▸ | ITGA4 | P13612 | 19/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | AKT1 | P31749 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4736515 | 0.91 | ITGB1 (0.84) | ITGB1ITGA4CYP3A4CYP2C9AKT1 | |
| SCHEMBL4735583 | 0.88 | ITGB1 (1.00) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL4736898 | 0.86 | ITGB1 (1.00) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL4734446 | 0.86 | ITGB1 (1.00) | ITGB1ITGA4CYP3A4CYP2C9AKT1 | |
| SCHEMBL4734301 | 0.81 | ITGB1 (0.84) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL4734571 | 0.79 | ITGB1 (1.00) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL4732444 | 0.79 | ITGB1 (1.00) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL4736889 | 0.79 | ITGB1 (1.00) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL4735900 | 0.78 | ITGB1 (0.70) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL4737683 | 0.78 | ITGB1 (0.70) | ITGB1ITGA4CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008064830-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | claimed |
| WO-2008064830-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | disclosed |