Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21855873 | 0.80 | KDM4E (0.50) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL21856123 | 0.80 | KDM4E (0.47) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL21921211 | 0.80 | LRRK2 (0.52) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL29284638 | 0.80 | KDM4E (0.47) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL28907419 | 0.79 | KDM4E (0.46) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 | |
| Potassium Ion SCHEMBL28657671 | 0.79 | KDM4E (0.46) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL28626206 | 0.79 | KDM4E (0.46) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL21855762 | 0.79 | KDM4E (0.46) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL29506170 | 0.79 | KDM4E (0.46) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL10195760 | 0.78 | LRRK2 (0.47) | LRRK2KDM4EL3MBTL1CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4129987-A1 | CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2023-02-08 | — | — | EP | disclosed |