Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5504060 | 0.85 | KIF11 (0.33) | KIF11PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4288291 | 0.82 | KIF11 (0.42) | TDP1KIF11CYP3A4MAP1LC3BCYP2C19 | |
| SCHEMBL5604957 | 0.82 | KIF11 (0.55) | TDP1KIF11CYP3A4MAP1LC3BCYP2C19 | |
| SCHEMBL5753899 | 0.80 | KIF11 (0.46) | TDP1KIF11CYP3A4PDE4APDE4B | |
| SCHEMBL5754954 | 0.76 | KIF11 (0.43) | TDP1KIF11CYP3A4MAP1LC3BCYP2C19 | |
| SCHEMBL5649781 | 0.74 | TDP1 (0.51) | TDP1KIF11CYP3A4PDE4APDE4B | |
| SCHEMBL5604490 | 0.74 | KIF11 (0.54) | TDP1KIF11CYP3A4PDE4APDE4B | |
| SCHEMBL5759177 | 0.74 | KIF11 (0.54) | TDP1KIF11CYP3A4PDE4APDE4B | |
| SCHEMBL5647619 | 0.74 | TDP1 (0.55) | TDP1KIF11CYP3A4PDE4APDE4B | |
| SCHEMBL5754463 | 0.72 | SYK (0.43) | KIF11CYP3A4MAP1LC3BCYP2C19KCNH2 |
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-1855685-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006078598-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2006-07-27 | — | — | WO | disclosed |