Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 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 | |
|---|---|---|---|---|
| SCHEMBL18650901 | 0.89 | PTGS2 (0.46) | PTGS2F10PRKACAGSK3BROCK1 | |
| SCHEMBL23618026 | 0.87 | PTGS2 (0.41) | PTGS2F10LRRK2TNKSPRKACA | |
| SCHEMBL18650909 | 0.86 | PTGS2 (0.40) | PTGS2F10TNKSPRKACAGSK3B | |
| SCHEMBL18668092 | 0.85 | PTGS2 (0.40) | PTGS2F10LRRK2TNKSPRKACA | |
| SCHEMBL18668039 | 0.85 | PTGS2 (0.40) | PTGS2F10LRRK2TNKS | |
| SCHEMBL18650911 | 0.85 | PIK3CA (0.39) | PTGS2F10LRRK2 | |
| SCHEMBL18667872 | 0.85 | PIK3CA (0.39) | PTGS2F10LRRK2 | |
| SCHEMBL18650890 | 0.81 | GPR119 (0.37) | PTGS2F10LRRK2PRKACAGSK3B | |
| SCHEMBL18650891 | 0.81 | GPR119 (0.37) | PTGS2F10LRRK2PRKACAGSK3B | |
| SCHEMBL23617960 | 0.80 | PKM (0.40) | PTGS2F10LRRK2RPS6KB1 |
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-3350177-B1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-07-07 | — | — | EP | disclosed |