Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 14/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 14/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4739188 | 0.93 | ITGB1 (0.45) | ITGB1ITGA4CYP3A4CYP2C9ELANE | |
| SCHEMBL4737693 | 0.86 | ITGB1 (0.43) | ITGB1ITGA4CYP3A4CYP2C9ELANE | |
| SCHEMBL4735581 | 0.85 | ITGB1 (0.46) | ITGB1ITGA4CYP3A4CYP2C9ELANE | |
| SCHEMBL4733927 | 0.84 | ITGB1 (0.43) | ITGB1ITGA4CYP3A4CYP2C9 | |
| SCHEMBL4733784 | 0.83 | MAPT (0.52) | ITGB1ITGA4 | |
| SCHEMBL3832796 | 0.79 | ITGB1 (0.47) | ITGB1ITGA4CYP3A4CYP2C9ELANE | |
| SCHEMBL4737637 | 0.78 | ITGB1 (0.42) | ITGB1ITGA4ELANE | |
| SCHEMBL4736687 | 0.77 | MAPT (0.48) | ITGB1ITGA4 | |
| SCHEMBL4735983 | 0.76 | ITGA4 (0.47) | ITGB1ITGA4CYP3A4CYP2C9ELANE | |
| SCHEMBL4750224 | 0.76 | ITGB1 (0.44) | ITGB1ITGA4CYP3A4ELANE |
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 |