Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.57 |
| ▸ | CCNC | P24863 | 1/20 | 0.53 |
| ▸ | CDK8 | P49336 | 1/20 | 0.53 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.50 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.47 |
| ▸ | TOP1 | P11387 | 1/20 | 0.47 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.45 |
| ▸ | GAK | O14976 | 2/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28170035 | 0.88 | GRM4 (0.67) | PIK3CACCNCCDK8GRM4MAPK14 | |
| SCHEMBL31222481 | 0.81 | TGFBR1 (0.52) | PIK3CAGRM4MAPK14TGFBR1TOP1 | |
| SCHEMBL28118653 | 0.79 | TOP1 (0.58) | TOP1NPBWR1DGAT1KCNH2DHODH | |
| SCHEMBL9709110 | 0.78 | PIK3CA (0.87) | PIK3CACDK8KDR | |
| SCHEMBL14349100 | 0.78 | P2RX1 (0.50) | — | |
| SCHEMBL11831483 | 0.77 | NPBWR1 (0.48) | TOP1NPBWR1DGAT1KCNH2DHODH | |
| SCHEMBL12277881 | 0.76 | PIK3CA (0.62) | PIK3CACCNCCDK8SLC22A12KDR | |
| SCHEMBL30440259 | 0.76 | PIK3CA (0.62) | PIK3CACCNCCDK8SLC22A12KDR | |
| SCHEMBL9806116 | 0.76 | PIK3CA (0.62) | PIK3CACDK8SLC22A12KDR | |
| SCHEMBL8956040 | 0.76 | PIK3CA (0.62) | PIK3CACCNCCDK8GRM4KDR |
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-0354994-A2 | Quinoline derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-02-21 | — | — | EP | disclosed |