Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.57 |
| ▸ | AKT2 | P31751 | 1/20 | 0.57 |
| ▸ | FASN | P49327 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 6/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | MARK3 | P27448 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24963400 | 1.00 | CHEK1 (0.57) | CHEK1AKT2FASNPGRAR | |
| SCHEMBL3074271 | 0.83 | CHEK1 (0.59) | CHEK1AKT2FASNMKNK1ACVR1 | |
| SCHEMBL7395177 | 0.78 | IDO1 (0.46) | FASNPGRARGSK3AMAP4K4 | |
| SCHEMBL16209719 | 0.76 | AKT2 (0.79) | CHEK1AKT2MKNK1ACVR1 | |
| SCHEMBL7430278 | 0.75 | IDO1 (0.43) | FASNPGRARGSK3AMAP4K4 | |
| SCHEMBL4443914 | 0.74 | ALDH1A1 (0.52) | PGRARMAP4K4CLK4 | |
| SCHEMBL7404293 | 0.74 | F11 (0.52) | FASNPGRGSK3AMAP4K4IDO1 | |
| SCHEMBL873114 | 0.74 | AKT2 (1.00) | CHEK1AKT2GSK3AMARK3MKNK1 | |
| SCHEMBL27787243 | 0.74 | CLK4 (0.63) | PGRMAP4K4IDO1CLK4MAOB | |
| SCHEMBL5269506 | 0.73 | L3MBTL1 (0.59) | PGRGSK3AMAP4K4IDO1PIN1 |
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-2023004280-A1 | SELECTIVE PYRAZOLE LRRK2 INHIBITORS AND METHODS FOR USE THEREOF | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2023-01-26 | — | — | WO | claimed |