Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 9/20 | 0.55 |
| ▸ | MAP1LC3B | Q9GZQ8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | PDE6D | O43924 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5604903 | 0.87 | KIF11 (0.67) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL5604394 | 0.86 | KIF11 (0.57) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL4286034 | 0.84 | KIF11 (0.65) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL5603713 | 0.82 | KIF11 (0.64) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL5604623 | 0.82 | TDP1 (0.40) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL5750414 | 0.79 | KIF11 (0.55) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL5756255 | 0.77 | KIF11 (0.51) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL5490527 | 0.76 | KIF11 (0.43) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL5489055 | 0.75 | KIF11 (0.47) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL5486903 | 0.75 | KIF11 (0.51) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 |
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 |