Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 2/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.47 |
| ▸ | OGA | O60502 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL564552 | 0.83 | HRH4 (0.50) | OGAHRH4HRH3KCNH2LRRK2 | |
| SCHEMBL20241721 | 0.82 | PIK3CA (0.42) | JAK2TYK2HRH4CYP2C19PIK3CD | |
| SCHEMBL12295191 | 0.82 | PIM1 (0.41) | JAK2TYK2HRH4CYP2C19PIK3CD | |
| SCHEMBL12295201 | 0.78 | JAK2 (0.39) | JAK2TYK2OGAHRH4CYP2C19 | |
| SCHEMBL14868457 | 0.78 | HRH4 (0.43) | JAK2TYK2HRH4CYP2C19HRH3 | |
| SCHEMBL14872324 | 0.78 | HRH4 (0.50) | JAK2TYK2HRH4CYP2C19PIK3CD | |
| SCHEMBL23571141 | 0.78 | MAP4K4 (0.46) | OGAHRH4CYP2C19KMOLRRK2 | |
| SCHEMBL23554662 | 0.78 | LRRK2 (0.47) | JAK2TYK2OGALRRK2 | |
| SCHEMBL23523535 | 0.78 | LRRK2 (0.47) | JAK2TYK2OGALRRK2 | |
| SCHEMBL2570384 | 0.77 | CYP2C19 (0.58) | OGACYP2C19KMOLRRK2P4HTM |
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-3694330-B1 | INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-04-19 | — | — | EP | disclosed |