Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 6/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL26081245 | 0.87 | LRRK2 (0.35) | LRRK2NPY5RKCNH2MAP3K12MBOAT4 | |
| SCHEMBL26081076 | 0.78 | USP2 (0.37) | LRRK2KCNH2MAPKAPK2USP2MAOB | |
| SCHEMBL24484602 | 0.77 | ADRB1 (0.47) | SYKKCNH2MAP3K12MAPKAPK2SLC6A4 | |
| SCHEMBL24484263 | 0.74 | HRH1 (0.36) | LRRK2SYKKCNH2 | |
| Hydrochloric Acid SCHEMBL25402688 | 0.73 | SLC6A4 (0.43) | USP2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL26081246 | 0.72 | TSHR (0.41) | NPY5RKCNH2MBOAT4CLK4USP2 | |
| SCHEMBL24484644 | 0.72 | P2RX7 (0.37) | KCNH2DRD2DRD3USP2SLC6A2 | |
| SCHEMBL26081206 | 0.72 | USP2 (0.51) | KCNH2MAPKAPK2USP2SLC6A2SLC6A4 | |
| SCHEMBL24484629 | 0.71 | NPY5R (0.34) | LRRK2NPY5RDRD2DRD3 | |
| SCHEMBL17168474 | 0.71 | MBOAT4 (0.40) | NPY5RKCNH2MBOAT4CLK4 |
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-2022115620-A1 | 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | SAGE THERAPEUTICS, INC. (US) | 2022-06-02 | — | — | WO | disclosed |