Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.54 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | JAK3 | P52333 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CTSD | P07339 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.49 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15968103 | 1.00 | CYP1A2 (0.56) | CYP1A2PDGFRBPDGFRALCKKDR | |
| SCHEMBL7159945 | 0.83 | LCK (0.51) | CYP1A2PDGFRBPDGFRALCKKDR | |
| SCHEMBL21630183 | 0.82 | CTSD (0.56) | PDGFRBPDGFRALCKKDRJAK3 | |
| SCHEMBL15730717 | 0.81 | CYP2A6 (0.55) | CYP1A2PDGFRBPDGFRACYP2A6BIRC5 | |
| SCHEMBL32667946 | 0.80 | PDGFRB (0.77) | CYP1A2PDGFRBPDGFRACYP2A6BIRC5 | |
| SCHEMBL2772360 | 0.80 | PDGFRB (0.77) | CYP1A2PDGFRBPDGFRACYP2A6BIRC5 | |
| SCHEMBL17179194 | 0.80 | PDGFRB (0.65) | CYP1A2PDGFRBPDGFRAMAP4K4CSNK1G2 | |
| SCHEMBL2624503 | 0.79 | PDGFRB (0.54) | CYP1A2PDGFRBPDGFRACYP2A6BIRC5 | |
| SCHEMBL2195152 | 0.79 | CYP1A2 (0.61) | CYP1A2PDGFRBPDGFRAKDRCYP2A6 | |
| SCHEMBL1150740 | 0.79 | PDGFRB (0.54) | CYP1A2PDGFRBPDGFRACYP2A6BIRC5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116655529-A | Method for synthesizing 3-aryl quinoline compound by nickel catalysis | 湖南大学 | 2023-08-29 | — | — | CN | disclosed |
| CN-114031552-A | Method for synthesizing substituted quinoline derivative from aromatic aldehyde and aromatic amine participated in DMSO | 长沙资材科技有限公司 | 2022-02-11 | — | — | CN | disclosed |