Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 8/20 | 0.36 |
| ▸ | JAK3 | P52333 | 8/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PAK4 | O96013 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | PRKCG | P05129 | 1/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL4780230 | 0.82 | CHEK1 (0.56) | CHEK1IRAK4TRPA1JAK2JAK3 | |
| SCHEMBL2783376 | 0.80 | CHEK1 (0.53) | CHEK1IRAK4TRPA1JAK2JAK3 | |
| SCHEMBL3224749 | 0.77 | CHEK1 (0.44) | CHEK1IRAK4TRPA1AURKAPRKD3 | |
| SCHEMBL24345183 | 0.77 | CHEK1 (0.58) | CHEK1IRAK4TRPA1AURKASTK3 | |
| SCHEMBL27804119 | 0.77 | CHEK1 (0.46) | CHEK1IRAK4TRPA1JAK2JAK3 | |
| SCHEMBL16765811 | 0.76 | CHEK1 (0.49) | CHEK1IRAK4TRPA1JAK3AURKA | |
| SCHEMBL3236479 | 0.76 | CHEK1 (0.56) | CHEK1IRAK4JAK2JAK3AURKA | |
| SCHEMBL16765141 | 0.73 | CHEK1 (0.49) | CHEK1IRAK4TRPA1JAK2JAK3 | |
| SCHEMBL12065776 | 0.73 | CHEK1 (0.49) | CHEK1IRAK4TRPA1JAK2JAK3 | |
| SCHEMBL16765827 | 0.72 | CHEK1 (0.51) | CHEK1JAK3CHUKROCK2CSNK2A1 |
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-2788000-B1 | PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-05-30 | — | — | EP | disclosed |