Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 11/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19819893 | 0.91 | CYP1A2 (0.43) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19355276 | 0.89 | CYP1A2 (0.52) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL20373150 | 0.88 | CYP1A2 (0.50) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19819890 | 0.87 | CYP1A2 (0.45) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19905084 | 0.87 | CYP1A2 (0.41) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19905333 | 0.87 | CYP1A2 (0.38) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL22838588 | 0.86 | CYP1A2 (0.40) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19819878 | 0.86 | CYP1A2 (0.40) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19355504 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 | |
| SCHEMBL19355271 | 0.85 | PRKDC (0.43) | CYP1A2CYP3A4CLK4CYP2D6CYP2C19 |
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-3057959-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2018-02-28 | — | — | EP | disclosed |