Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 18/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20130896 | 0.81 | IRAK4 (0.54) | IRAK4 | |
| SCHEMBL18573759 | 0.81 | IRAK4 (0.42) | IRAK4TRPA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18573885 | 0.79 | IRAK4 (0.67) | IRAK4 | |
| SCHEMBL24250089 | 0.76 | SRC (0.50) | IRAK4 | |
| SCHEMBL13443769 | 0.76 | TRPA1 (0.49) | IRAK4TRPA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24250054 | 0.73 | IRAK4 (0.75) | IRAK4 | |
| SCHEMBL24250232 | 0.73 | IRAK4 (0.75) | IRAK4 | |
| SCHEMBL13409353 | 0.72 | CYP3A4 (0.46) | IRAK4TRPA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13409354 | 0.72 | TRPA1 (0.58) | IRAK4TRPA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24250277 | 0.72 | IRAK4 (0.75) | 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 |
|---|---|---|---|---|---|---|---|
| EP-3536685-B1 | BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS | PFIZER (US) | 2022-02-16 | — | — | EP | disclosed |