Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 9/20 | 0.64 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 8/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.49 |
| ▸ | ATR | Q13535 | 5/20 | 0.49 |
| ▸ | MTOR | P42345 | 3/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.47 |
| ▸ | PRKDC | P78527 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22963947 | 1.00 | CD38 (0.64) | CD38LRRK2ATMKCNH2ATR | |
| SCHEMBL23136880 | 0.79 | CD38 (1.00) | CD38MTOR | |
| SCHEMBL15215124 | 0.77 | CSF1R (0.51) | ATMKCNH2ATRMTORPIK3CA | |
| SCHEMBL27242853 | 0.77 | LRRK2 (0.56) | LRRK2ATMKCNH2ATRMTOR | |
| SCHEMBL15215123 | 0.76 | TSHR (0.52) | ATMKCNH2ATRMTORPIK3CA | |
| SCHEMBL14059375 | 0.72 | LRRK2 (1.00) | CD38LRRK2 | |
| SCHEMBL22964204 | 0.71 | CD38 (0.50) | CD38LRRK2ATMKCNH2ATR | |
| SCHEMBL29725408 | 0.71 | CD38 (0.50) | CD38LRRK2ATMKCNH2ATR | |
| SCHEMBL29725591 | 0.70 | CHEK2 (0.53) | CD38LRRK2 | |
| SCHEMBL15215104 | 0.70 | CSF1R (0.58) | LRRK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114174279-B | Bicyclic heterocyclic compounds useful as IRAK4 inhibitors | 百时美施贵宝公司 | 2024-07-02 | — | — | CN | claimed |
| CN-114174279-B | Bicyclic heterocyclic compounds useful as IRAK4 inhibitors | 百时美施贵宝公司 | 2024-07-02 | — | — | CN | disclosed |