Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.61 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.61 |
| ▸ | EGFR | P00533 | 6/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.50 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | CLK2 | P49760 | 1/20 | 0.42 |
| ▸ | CDK7 | P50613 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8644295 | 0.89 | PIK3CA (0.73) | PIK3CAPIK3CDEGFRMAP4K4FGFR4 | |
| SCHEMBL17410801 | 0.85 | EGFR (0.60) | PIK3CAPIK3CDEGFRFGFR4TDO2 | |
| SCHEMBL29891394 | 0.85 | EGFR (0.60) | PIK3CAPIK3CDEGFRFGFR4TDO2 | |
| SCHEMBL28298099 | 0.85 | PIK3CA (0.65) | PIK3CAPIK3CDEGFRMAP4K4FGFR4 | |
| SCHEMBL3042419 | 0.84 | PIK3CD (0.63) | PIK3CAPIK3CDEGFRMAP4K4FGFR4 | |
| SCHEMBL20687402 | 0.84 | PIK3CD (0.73) | PIK3CAPIK3CDEGFRMAP4K4FGFR4 | |
| SCHEMBL3535171 | 0.82 | PIK3CA (0.61) | PIK3CAPIK3CDEGFRMAP4K4FGFR4 | |
| SCHEMBL28292972 | 0.82 | PIK3CA (0.61) | PIK3CAPIK3CDEGFRMAP4K4FGFR4 | |
| SCHEMBL28158032 | 0.78 | EGFR (0.76) | PIK3CAPIK3CDEGFRMAP4K4FGFR4 | |
| SCHEMBL27597718 | 0.78 | PIK3CA (0.56) | PIK3CAPIK3CDEGFRMAP4K4FGFR4 |
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-104507933-B | Amido quinazoline and Pyridopyrimidine derivatives | 霍夫曼-拉罗奇有限公司 | 2017-10-31 | — | — | CN | disclosed |