Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 5/20 | 0.37 |
| ▸ | MTOR | P42345 | 3/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | LATS1 | O95835 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 3/20 | 0.32 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.32 |
| ▸ | GAK | O14976 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25925679 | 0.87 | OPRK1 (0.34) | JAK2JAK1TYK2JAK3OPRK1 | |
| SCHEMBL29914787 | 0.82 | CYP1A2 (0.45) | PIK3CAMTOROPRK1LRRK2PDE10A | |
| SCHEMBL25930726 | 0.81 | PIK3CA (0.34) | PIK3CAMTORLATS1LRRK2PDE10A | |
| SCHEMBL25925716 | 0.80 | PIK3CA (0.42) | PIK3CAMTORLATS1LRRK2PDE10A | |
| SCHEMBL2712251 | 0.79 | PIK3CA (0.44) | PIK3CAMTORLATS1LRRK2PDE10A | |
| SCHEMBL25931435 | 0.77 | LRRK2 (0.44) | PIK3CAMTOROPRK1LATS1LRRK2 | |
| SCHEMBL2712256 | 0.74 | ALDH1A1 (0.45) | PIK3CAMTOROPRK1LATS1LRRK2 | |
| SCHEMBL31642454 | 0.73 | OPRK1 (0.33) | JAK2JAK1TYK2JAK3OPRK1 | |
| SCHEMBL25931151 | 0.72 | OPRK1 (0.41) | PIK3CAMTORJAK2JAK1TYK2 | |
| SCHEMBL25925681 | 0.70 | CYP1A2 (0.34) | LRRK2CYP1A2CYP3A4CYP2D6CYP2C19 |
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-2023131271-A1 | PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2023-07-13 | — | — | WO | disclosed |