Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K11 | Q16584 | 14/20 | 0.80 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TDO2 | P48775 | 1/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.53 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.53 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.53 |
| ▸ | CLK1 | P49759 | 1/20 | 0.53 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.49 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | SGK1 | O00141 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | CHUK | O15111 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL721794 | 0.89 | MAP3K11 (1.00) | MAP3K11LRRK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7328650 | 0.88 | MAP3K11 (0.70) | MAP3K11LRRK2TDO2DYRK1ADYRK2 | |
| SCHEMBL2527600 | 0.81 | MAP3K11 (0.73) | MAP3K11LRRK2DYRK1AKIT | |
| SCHEMBL15759024 | 0.80 | MAP3K11 (0.60) | MAP3K11LRRK2CYP3A4CYP2D6TDO2 | |
| SCHEMBL2526092 | 0.78 | MAP3K11 (0.60) | MAP3K11LRRK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7089345 | 0.77 | MAP3K11 (0.56) | MAP3K11TDO2DYRK1ADYRK2DYRK1B | |
| SCHEMBL720862 | 0.76 | MAP3K11 (1.00) | MAP3K11LRRK2CYP3A4CYP2D6DYRK1A | |
| SCHEMBL723789 | 0.76 | MAP3K11 (1.00) | MAP3K11LRRK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2526465 | 0.76 | NPC1 (0.71) | MAP3K11LRRK2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL724259 | 0.74 | MAP3K11 (0.83) | MAP3K11LRRK2CYP3A4CYP2D6CYP2C9 |
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-2379561-A2 | MLK INHIBITORS AND METHODS OF USE | University Of Rochester (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010068483-A2 | MLK INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2010-06-17 | — | — | WO | disclosed |