Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 9/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26081143 | 0.83 | HRH1 (0.37) | HRH1CYP3A4CYP2D6KCNH2CHRM1 | |
| SCHEMBL23083679 | 0.78 | KDM4E (0.33) | CYP2D6SYKALDH1A1HPGD | |
| SCHEMBL24484270 | 0.77 | CYP2D6 (0.32) | HRH1CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL26081848 | 0.76 | TACR1 (0.31) | KCNH2 | |
| Hydrochloric Acid SCHEMBL25402688 | 0.75 | SLC6A4 (0.43) | HRH1CYP3A4CYP2D6ALDH1A1HPGD | |
| SCHEMBL24484693 | 0.75 | KDM1A (0.32) | KDM1A | |
| SCHEMBL24484265 | 0.74 | HRH1 (0.39) | HRH1CYP3A4CYP2D6KCNH2CHRM1 | |
| SCHEMBL24484692 | 0.74 | LRRK2 (0.37) | SYKKCNH2LRRK2 | |
| SCHEMBL24484733 | 0.72 | DAO (0.35) | PIM1LRRK2KDM1A | |
| SCHEMBL26081076 | 0.72 | USP2 (0.37) | CYP3A4CYP2D6KCNH2LRRK2KDM1A |
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 |