Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 13/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.31 |
| ▸ | JAK3 | P52333 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 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 | |
|---|---|---|---|---|
| SCHEMBL23093906 | 0.83 | IRAK4 (0.46) | IRAK4PIK3CAATRATRIP | |
| SCHEMBL23110495 | 0.76 | IRAK4 (0.69) | IRAK4 | |
| SCHEMBL19030252 | 0.75 | IRAK4 (0.50) | IRAK4PIK3CAALDH1A1ATRATRIP | |
| SCHEMBL19030104 | 0.71 | IRAK4 (0.49) | IRAK4ALDH1A1 | |
| SCHEMBL19030146 | 0.64 | IRAK4 (1.00) | IRAK4 | |
| SCHEMBL19029999 | 0.62 | IRAK4 (1.00) | IRAK4 | |
| SCHEMBL23110494 | 0.62 | IRAK4 (0.68) | IRAK4 | |
| SCHEMBL19030158 | 0.59 | IRAK4 (0.51) | IRAK4 | |
| SCHEMBL30790724 | 0.59 | HSD11B1 (0.55) | IRAK4 | |
| SCHEMBL21397183 | 0.58 | ALDH1A1 (0.44) | IRAK4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021047677-A1 | IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF | 中国科学院上海药物研究所 | 2021-03-18 | — | — | WO | disclosed |