Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | MAP3K12 | Q12852 | 6/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21893425 | 0.82 | MPO (0.36) | LRRK2IRAK4BRD4CREBBPDGAT1 | |
| SCHEMBL21819819 | 0.82 | IRAK4 (0.38) | LRRK2IRAK4BRD4CREBBPMAP3K12 | |
| SCHEMBL21205528 | 0.80 | DGAT1 (0.41) | LRRK2IRAK4DGAT1 | |
| SCHEMBL21940795 | 0.77 | LRRK2 (0.35) | LRRK2IRAK4BRD4CREBBP | |
| SCHEMBL21940573 | 0.75 | S1PR2 (0.38) | LRRK2IRAK4BRD4CREBBPPRKDC | |
| SCHEMBL21940476 | 0.75 | S1PR2 (0.37) | LRRK2IRAK4 | |
| SCHEMBL31389867 | 0.74 | MPO (0.34) | DGAT1 | |
| SCHEMBL22518599 | 0.73 | LRRK2 (0.43) | LRRK2IRAK4DGAT1 | |
| SCHEMBL22102884 | 0.72 | ABL1 (0.39) | — | |
| SCHEMBL5021100 | 0.71 | PIK3CA (0.39) | LRRK2IRAK4 |
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-3423445-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2020-04-01 | — | — | EP | disclosed |