Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 16/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19046011 | 0.88 | ALDH1A1 (0.49) | MAPTALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19030431 | 0.85 | IRAK4 (0.50) | IRAK4MAPTALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL19030512 | 0.84 | MAPT (0.49) | IRAK4MAPTALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL19030837 | 0.83 | IRAK4 (0.44) | IRAK4MAPTALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL20594582 | 0.82 | MAPT (0.44) | IRAK4MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL19045984 | 0.81 | MAPT (0.51) | IRAK4MAPTALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL19030571 | 0.81 | IRAK4 (0.38) | IRAK4MAPTALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL19045745 | 0.80 | IRAK4 (0.37) | IRAK4 | |
| SCHEMBL19030707 | 0.80 | IRAK4 (0.48) | IRAK4MAPTALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL19029990 | 0.80 | IRAK4 (0.48) | IRAK4MAPTALDH1A1SMN1; SMN2 |
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 |