Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.49 |
| ▸ | MAPT | P10636 | 10/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19030431 | 0.90 | IRAK4 (0.50) | ALDH1A1MAPTCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19045984 | 0.90 | MAPT (0.51) | ALDH1A1MAPTCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19030512 | 0.89 | MAPT (0.49) | ALDH1A1MAPTCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19030837 | 0.88 | IRAK4 (0.44) | ALDH1A1MAPTCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19045344 | 0.88 | IRAK4 (0.38) | ALDH1A1MAPTCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19030367 | 0.88 | MAPT (0.46) | ALDH1A1MAPTCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL20594582 | 0.87 | MAPT (0.44) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL19030571 | 0.85 | IRAK4 (0.38) | ALDH1A1MAPTCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19044618 | 0.84 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19030797 | 0.84 | IRAK4 (0.51) | ALDH1A1MAPTCYP1A2CYP2C19CYP2D6 |
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 |