Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.84 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.84 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.84 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.46 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.46 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16895785 | 0.92 | EGFR (1.00) | EGFRCYP2D6CYP3A4CYP2C9IRAK4 | |
| SCHEMBL16896121 | 0.92 | EGFR (1.00) | EGFRCYP2D6CYP3A4CYP2C9IRAK4 | |
| SCHEMBL16896123 | 0.92 | EGFR (1.00) | EGFRCYP2D6CYP3A4CYP2C9IRAK4 | |
| SCHEMBL16895783 | 0.92 | EGFR (1.00) | EGFRCYP2D6CYP3A4CYP2C9IRAK4 | |
| SCHEMBL16895576 | 0.91 | EGFR (0.84) | EGFRCYP2D6CYP3A4CYP2C9IRAK4 | |
| SCHEMBL16896135 | 0.91 | EGFR (0.84) | EGFRCYP2D6CYP3A4CYP2C9IRAK4 | |
| SCHEMBL16895580 | 0.91 | EGFR (0.84) | EGFRCYP2D6CYP3A4CYP2C9IRAK4 | |
| SCHEMBL16896137 | 0.91 | EGFR (0.84) | EGFRCYP2D6CYP3A4CYP2C9IRAK4 | |
| SCHEMBL16895632 | 0.89 | EGFR (1.00) | EGFRCYP2D6CYP3A4CYP2C9 | |
| SCHEMBL16895975 | 0.89 | EGFR (1.00) | EGFRCYP2D6CYP3A4CYP2C9 |
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-3257848-A1 | COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY | Novartis AG (CH) | 2017-12-20 | — | — | EP | disclosed |