Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K11 | Q16584 | 17/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.75 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.75 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.73 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.73 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.73 |
| ▸ | CLK1 | P49759 | 1/20 | 0.69 |
| ▸ | SGK1 | O00141 | 1/20 | 0.58 |
| ▸ | IKBKB | O14920 | 1/20 | 0.58 |
| ▸ | AURKA | O14965 | 1/20 | 0.58 |
| ▸ | CHUK | O15111 | 1/20 | 0.58 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.58 |
| ▸ | ABL1 | P00519 | 1/20 | 0.58 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.58 |
| ▸ | INSR | P06213 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | CDK1 | P06493 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL723789 | 0.90 | MAP3K11 (1.00) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 | |
| SCHEMBL723923 | 0.86 | MAP3K11 (1.00) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 | |
| SCHEMBL721629 | 0.85 | MAP3K11 (1.00) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 | |
| SCHEMBL722261 | 0.85 | MAP3K11 (0.80) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 | |
| SCHEMBL720976 | 0.84 | MAP3K11 (1.00) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 | |
| SCHEMBL12763475 | 0.84 | MAP3K11 (0.83) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 | |
| SCHEMBL724304 | 0.84 | MAP3K11 (0.83) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 | |
| SCHEMBL721195 | 0.83 | MAP3K11 (1.00) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 | |
| SCHEMBL721794 | 0.83 | MAP3K11 (1.00) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 | |
| SCHEMBL3767742 | 0.81 | MAP3K11 (0.78) | MAP3K11CYP3A4LRRK2CYP2D6CYP2C9 |
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-3037421-A1 | MLK INHIBITORS AND METHODS OF USE | University Of Rochester (US) | 2016-06-29 | — | — | EP | disclosed |
| EP-2379561-B1 | MLK INHIBITORS AND METHODS OF USE | UNIV ROCHESTER (US) | 2015-11-04 | — | — | EP | disclosed |