Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | ITK | Q08881 | 6/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCND2 | P30279 | 1/20 | 0.32 |
| ▸ | CCND3 | P30281 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19720713 | 0.89 | EGFR (0.40) | EGFRCYP2C9CYP3A4CYP2D6ITK | |
| SCHEMBL16896021 | 0.84 | EGFR (0.46) | EGFRCYP2C9CYP3A4CYP2D6ITK | |
| SCHEMBL16896019 | 0.84 | EGFR (0.46) | EGFRCYP2C9CYP3A4CYP2D6ITK | |
| SCHEMBL16895698 | 0.83 | EGFR (0.49) | EGFRCYP2C9CYP3A4CYP2D6ITK | |
| SCHEMBL16895696 | 0.83 | EGFR (0.49) | EGFRCYP2C9CYP3A4CYP2D6ITK | |
| SCHEMBL16896007 | 0.78 | PIK3CA (0.38) | EGFRCDK4CCND1CCND2CCND3 | |
| SCHEMBL16896006 | 0.78 | PIK3CA (0.38) | EGFRCDK4CCND1CCND2CCND3 | |
| SCHEMBL16895928 | 0.78 | EGFR (0.45) | EGFRCYP2C9CYP3A4CYP2D6 | |
| SCHEMBL16895925 | 0.78 | EGFR (0.45) | EGFRCYP2C9CYP3A4CYP2D6 | |
| SCHEMBL16896127 | 0.77 | ALK (0.50) | EGFRCYP2C9CYP3A4CYP2D6USP30 |
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 |