Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 12/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.33 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29935220 | 0.85 | IRAK4 (0.46) | IRAK4HTR2A | |
| SCHEMBL19046333 | 0.85 | IRAK4 (0.46) | IRAK4HTR2A | |
| SCHEMBL19046332 | 0.85 | IRAK4 (0.46) | IRAK4HTR2A | |
| SCHEMBL19046305 | 0.83 | IRAK4 (0.56) | IRAK4HTR2A | |
| SCHEMBL23277936 | 0.82 | IRAK4 (0.46) | IRAK4HTR2A | |
| SCHEMBL19029967 | 0.80 | IRAK4 (0.45) | IRAK4HTR2A | |
| SCHEMBL19046124 | 0.77 | IRAK4 (0.51) | IRAK4HTR2A | |
| SCHEMBL19046422 | 0.76 | IRAK4 (0.44) | IRAK4HTR2A | |
| SCHEMBL22265286 | 0.73 | ALDH1A1 (0.36) | IRAK4 | |
| SCHEMBL19046335 | 0.71 | ALDH1A1 (0.42) | IRAK4 |
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-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |