Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19672200 | 0.92 | LRRK2 (0.44) | PIK3CAALDH1A1TSHRMAPK14MAPK13 | |
| SCHEMBL19672007 | 0.84 | PIK3CA (0.40) | PIK3CAALDH1A1MAPK14MAPK13LRRK2 | |
| SCHEMBL19417049 | 0.84 | LRRK2 (0.41) | PIK3CAALDH1A1MAPK14MAPK13LRRK2 | |
| SCHEMBL19671940 | 0.82 | PIK3CA (0.47) | PIK3CAALDH1A1MAPK14MAPK13LRRK2 | |
| SCHEMBL19671870 | 0.82 | LRRK2 (0.46) | LRRK2 | |
| SCHEMBL19672038 | 0.80 | LRRK2 (0.40) | PIK3CAMAPK14MAPK13LRRK2MAPK9 | |
| SCHEMBL19671988 | 0.80 | HRH3 (0.40) | PIK3CALRRK2 | |
| SCHEMBL19671788 | 0.79 | LRRK2 (0.36) | PIK3CALRRK2 | |
| SCHEMBL19672056 | 0.78 | LRRK2 (0.36) | LRRK2PRMT5 | |
| SCHEMBL19672058 | 0.78 | LRRK2 (0.34) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2964221-B1 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | MERCK SHARP & DOHME (US) | 2017-12-06 | — | — | EP | disclosed |