Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OGA | O60502 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19046180 | 0.77 | IRAK4 (0.46) | OGACYP2D6CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL23277934 | 0.74 | IRAK4 (0.47) | IRAK4 | |
| SCHEMBL19045415 | 0.74 | GPR183 (0.45) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL19046023 | 0.73 | IRAK4 (0.40) | IRAK4 | |
| SCHEMBL19045021 | 0.73 | IRAK4 (0.42) | OGAALDH1A1HSD17B10SLC6A4IRAK4 | |
| SCHEMBL19030571 | 0.72 | IRAK4 (0.38) | CYP2D6ALDH1A1CYP1A2FFAR4CYP2C19 | |
| SCHEMBL19046001 | 0.72 | IRAK4 (0.43) | OGAALDH1A1HSD17B10IRAK4SMN1; SMN2 | |
| SCHEMBL24123989 | 0.69 | ADRB1 (0.58) | USP2CYP2D6ALDH1A1CYP1A2TP53 | |
| SCHEMBL4237240 | 0.66 | CCR8 (0.61) | USP2CYP2D6ALDH1A1CYP3A4TSHR | |
| SCHEMBL31341893 | 0.66 | HTR3E (0.58) | USP2CYP2D6ALDH1A1CYP1A2TP53 |
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 |