Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.62 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16636882 | 0.68 | CYP1A2 (0.53) | CYP1A2CLK4CYP2C19CYP2D6MEN1 | |
| SCHEMBL30608214 | 0.64 | CYP1A2 (0.50) | CYP1A2CLK4CYP2C19CYP2D6MEN1 | |
| SCHEMBL30608213 | 0.64 | CYP1A2 (0.50) | CYP1A2CLK4CYP2C19CYP2D6MEN1 | |
| SCHEMBL29102565 | 0.64 | CYP1A2 (0.50) | CYP1A2CLK4CYP2C19CYP2D6MEN1 | |
| SCHEMBL83169 | 0.62 | CYP1A2 (0.48) | CYP1A2CLK4CYP2C19CYP2D6MEN1 | |
| SCHEMBL4735299 | 0.62 | SFRP1 (0.54) | CYP1A2CLK4CYP2C19CYP2D6MEN1 | |
| SCHEMBL12277211 | 0.62 | CYP1A2 (0.55) | CYP1A2CLK4CYP2C19CYP2D6MEN1 | |
| Hydrochloric Acid SCHEMBL2418315 | 0.61 | CYP1A2 (0.54) | CYP1A2CLK4CYP2C19CYP2D6MEN1 | |
| Hydrochloric Acid SCHEMBL68901 | 0.61 | CYP1A2 (0.47) | CYP1A2CLK4CYP2C19CYP2D6MEN1 | |
| SCHEMBL26391736 | 0.61 | CYP1A2 (0.39) | CYP1A2CLK4CYP2C19CYP2D6MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106488910-A | Inhibitors of kras g12c | 亚瑞克西斯制药公司 | 2017-03-08 | — | — | CN | disclosed |