Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.44 |
| ▸ | GRM5 | P41594 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 8/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KRAS | P01116 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30849531 | 1.00 | LRRK2 (0.44) | LRRK2GRM5HDAC6GRM4PDE2A | |
| SCHEMBL24983084 | 1.00 | LRRK2 (0.44) | LRRK2GRM5HDAC6GRM4PDE2A | |
| SCHEMBL27231784 | 1.00 | LRRK2 (0.44) | LRRK2GRM5HDAC6GRM4PDE2A | |
| SCHEMBL24983232 | 1.00 | LRRK2 (0.44) | LRRK2GRM5HDAC6GRM4PDE2A | |
| SCHEMBL15577842 | 0.90 | HDAC6 (0.45) | LRRK2GRM5HDAC6GRM4 | |
| SCHEMBL2014472 | 0.87 | KMO (0.40) | LRRK2GRM5HDAC6 | |
| SCHEMBL3416862 | 0.83 | LRRK2 (0.43) | LRRK2GRM5HDAC6GRM4KRAS | |
| SCHEMBL16667809 | 0.83 | LRRK2 (0.43) | LRRK2GRM5HDAC6GRM4KRAS | |
| SCHEMBL3416856 | 0.83 | LRRK2 (0.43) | LRRK2GRM5HDAC6GRM4KRAS | |
| SCHEMBL22576465 | 0.81 | MALT1 (0.39) | HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117460721-A | LPA1 small molecule antagonist | 上海拓界生物医药科技有限公司 | 2024-01-26 | — | — | CN | disclosed |