Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 5/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CLK3 | P49761 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL247512 | 0.77 | L3MBTL1 (0.52) | LRRK2CLK2CDK5DYRK1ACLK4 | |
| SCHEMBL1995026 | 0.74 | LRRK2 (0.50) | LRRK2ELANECLK1CLK2CLK3 | |
| SCHEMBL1577423 | 0.74 | CCR1 (0.49) | LRRK2CLK2CDK5DYRK1ACLK4 | |
| SCHEMBL12426313 | 0.74 | KDM4E (0.44) | LRRK2CLK2CDK5DYRK1ACLK4 | |
| SCHEMBL31444788 | 0.74 | MEN1 (0.43) | LRRK2CLK2CDK5DYRK1ACLK4 | |
| SCHEMBL2185260 | 0.74 | ALDH1A1 (0.50) | NCOA3DYRK1AL3MBTL1ALDH1A1 | |
| SCHEMBL27631463 | 0.73 | CCR1 (0.45) | LRRK2CYP11B2ACHECCR1CCR8 | |
| Hydrochloric Acid SCHEMBL31354904 | 0.73 | LRRK2 (0.49) | LRRK2ELANECLK1CLK2CLK3 | |
| SCHEMBL2325505 | 0.72 | CYP11B2 (0.42) | LRRK2CYP11B2CLK1CLK2CLK3 | |
| SCHEMBL25156021 | 0.71 | NR4A2 (0.57) | LRRK2NCOA3ELANECYP11B2CLK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024059212-A2 | 6,6 WESTERN CORE COMPOUNDS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | VANDERBILT UNIVERSITY (US) | 2024-03-21 | — | — | WO | disclosed |