Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 11/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.39 |
| ▸ | USP2 | O75604 | 6/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 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 | |
|---|---|---|---|---|
| SCHEMBL19905312 | 0.91 | CYP1A2 (0.38) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19905350 | 0.91 | CYP1A2 (0.39) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19819885 | 0.91 | CYP1A2 (0.40) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19355542 | 0.90 | CYP1A2 (0.39) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19355399 | 0.90 | CYP1A2 (0.42) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19355271 | 0.89 | PRKDC (0.43) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19905362 | 0.89 | CYP1A2 (0.41) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL22838473 | 0.88 | CYP1A2 (0.40) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL22838436 | 0.88 | CYP1A2 (0.41) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19355307 | 0.88 | CYP1A2 (0.39) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 |
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 |