Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.37 |
| ▸ | USP2 | O75604 | 5/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.34 |
| ▸ | MERTK | Q12866 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 2/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19355490 | 0.89 | PIK3CD (0.39) | TBK1 | |
| SCHEMBL19905306 | 0.87 | USP2 (0.34) | CYP1A2CYP3A4CYP2C19USP2CLK4 | |
| SCHEMBL19905265 | 0.87 | SYK (0.39) | CYP1A2CYP3A4CYP2C19USP2CLK4 | |
| SCHEMBL17874712 | 0.86 | PRKDC (0.49) | AXLTYRO3MERTKPRKDCIKBKE | |
| SCHEMBL22838436 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C19USP2CLK4 | |
| SCHEMBL19905368 | 0.85 | WNT1 (0.36) | CYP1A2CYP3A4CYP2C19USP2CLK4 | |
| SCHEMBL19905137 | 0.84 | AXL (0.34) | AXLTYRO3MERTKPRKDCIKBKE | |
| SCHEMBL19355271 | 0.83 | PRKDC (0.43) | CYP1A2CYP3A4CYP2C19USP2CLK4 | |
| SCHEMBL19905362 | 0.83 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C19USP2CLK4 | |
| SCHEMBL19355531 | 0.83 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2C19USP2CLK4 |
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 |