Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.71 |
| ▸ | MAP3K11 | Q16584 | 7/20 | 0.68 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.53 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.53 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | PIM1 | P11309 | 2/20 | 0.50 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.50 |
| ▸ | CLK1 | P49759 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL940968 | 0.86 | MAP3K11 (0.58) | NPC1MAP3K11DYRK1ADYRK2DYRK1B | |
| SCHEMBL18552198 | 0.84 | IMPDH2 (0.61) | NPC1MAP3K11DYRK1APIM1PIM3 | |
| SCHEMBL18552149 | 0.84 | IMPDH2 (0.61) | NPC1MAP3K11DYRK1APIM1PIM3 | |
| SCHEMBL24022684 | 0.84 | IMPDH2 (0.61) | NPC1MAP3K11DYRK1APIM1PIM3 | |
| SCHEMBL446619 | 0.84 | NPC1 (1.00) | NPC1MAP3K11DYRK1ADYRK2DYRK1B | |
| SCHEMBL30587350 | 0.84 | NPC1 (1.00) | NPC1MAP3K11DYRK1ADYRK2DYRK1B | |
| SCHEMBL28210414 | 0.82 | NPC1 (0.96) | NPC1MAP3K11DYRK1ADYRK2DYRK1B | |
| SCHEMBL721629 | 0.81 | MAP3K11 (1.00) | MAP3K11DYRK1ADYRK2DYRK1BCYP3A4 | |
| SCHEMBL20120884 | 0.81 | NPC1 (0.92) | NPC1MAP3K11DYRK1ADYRK2DYRK1B | |
| SCHEMBL2527600 | 0.80 | MAP3K11 (0.73) | NPC1MAP3K11DYRK1ALRRK2CASP3 |
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 |