Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 3/20 | 0.46 |
| ▸ | JAK3 | P52333 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8515521 | 0.95 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL8516305 | 0.89 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL2991912 | 0.88 | CYP2D6 (0.44) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL17022955 | 0.86 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL2996697 | 0.85 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL8515516 | 0.85 | CCNT1 (0.47) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL17022939 | 0.82 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL17022947 | 0.81 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL8514605 | 0.79 | CCNT1 (0.46) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL8515484 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 |
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-2137164-B1 | INHIBITORS OF PROTEIN KINASES | ASTRAZENECA AB (SE) | 2015-08-26 | — | — | EP | claimed |