Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | SYK | P43405 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19905207 | 0.82 | CYP1A2 (0.51) | CYP1A2CLK4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL20816287 | 0.81 | CYP1A2 (0.58) | CYP1A2CLK4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL28017373 | 0.80 | ABL1 (0.55) | CYP1A2CLK4CYP2C19CYP2D6HSD17B10 | |
| Hydrochloric Acid SCHEMBL28017385 | 0.79 | ABL1 (0.54) | CYP1A2CLK4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL15933190 | 0.78 | MAPT (0.49) | CLK4CYP2C19CYP3A4SYKMAPT | |
| SCHEMBL22838692 | 0.77 | CYP1A2 (0.43) | CYP1A2CLK4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL22838564 | 0.76 | CYP1A2 (0.51) | CYP1A2CLK4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL22838698 | 0.76 | SYK (0.42) | CYP1A2CLK4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL16373642 | 0.75 | CYP1A2 (0.50) | CYP1A2CLK4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL20816288 | 0.75 | FAAH (0.51) | CYP1A2CLK4CYP2C19CYP2D6HSD17B10 |
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-3459942-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2020-12-30 | — | — | EP | disclosed |