Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.38 |
| ▸ | MST1R | Q04912 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17032328 | 0.81 | AKT1 (0.42) | IRAK4TRPA1LRRK2PRKD3MAP4K4 | |
| SCHEMBL19185239 | 0.77 | MAP3K7 (0.54) | IRAK4LRRK2ROCK1MAP3K7TAB1 | |
| SCHEMBL19185382 | 0.75 | MAP3K7 (0.41) | MAP3K7TAB1JAK2JAK3 | |
| SCHEMBL14649091 | 0.75 | TRPA1 (0.44) | IRAK4TRPA1LRRK2CHEK1BRAF | |
| SCHEMBL27050490 | 0.73 | LRRK2 (0.31) | LRRK2 | |
| SCHEMBL6531144 | 0.72 | RET (0.42) | IRAK4TRPA1LRRK2CHEK1BRAF | |
| SCHEMBL14667020 | 0.71 | GPR84 (0.32) | TRPA1 | |
| SCHEMBL153752 | 0.71 | CHEK1 (0.63) | IRAK4TRPA1LRRK2DYRK1ACHEK1 | |
| SCHEMBL18868081 | 0.70 | IRAK4 (0.41) | IRAK4TRPA1LRRK2CHEK1BRAF | |
| SCHEMBL24656161 | 0.69 | JAK2 (0.38) | IRAK4LRRK2CDK5ROCK1JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9718815-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2017-08-01 | — | — | US | disclosed |