Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 13/20 | 0.35 |
| ▸ | CDK2 | P24941 | 13/20 | 0.35 |
| ▸ | GSK3B | P49841 | 9/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15506876 | 0.84 | EPHX1 (0.36) | ALDH1A1 | |
| SCHEMBL25187762 | 0.80 | LMNA (0.33) | CCNE1CDK2GSK3BCYP3A4CYP2C9 | |
| SCHEMBL25187572 | 0.80 | LMNA (0.33) | CCNE1CDK2GSK3BCYP3A4CYP2C9 | |
| SCHEMBL23010377 | 0.80 | ALDH1A1 (0.35) | CYP3A4ALDH1A1GABRA1 | |
| SCHEMBL22287002 | 0.80 | LMNA (0.33) | CCNE1CDK2GSK3BCYP3A4CYP2C9 | |
| SCHEMBL30685321 | 0.79 | CCNE1 (0.43) | CCNE1CDK2GSK3B | |
| SCHEMBL21427860 | 0.78 | GABRA1 (0.30) | GABRA1 | |
| SCHEMBL12436368 | 0.77 | — | — | |
| SCHEMBL21427823 | 0.76 | — | — | |
| SCHEMBL21427834 | 0.74 | CCNE1 (0.32) | CCNE1CDK2GSK3BGABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008011117-A2 | ANTIVIRAL PROTEASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2008-01-24 | — | — | WO | disclosed |