Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 14/20 | 0.70 |
| ▸ | PDGFRA | P16234 | 14/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.66 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | EEF2K | O00418 | 1/20 | 0.42 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | CLK2 | P49760 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CAMK2B | Q13554 | 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 | |
|---|---|---|---|---|
| SCHEMBL31060213 | 0.83 | PDGFRB (1.00) | PDGFRBPDGFRABACE1CYP2A6CYP2E1 | |
| SCHEMBL3017525 | 0.80 | ESR2 (1.00) | PDGFRBPDGFRAESR2EGFRNPC1 | |
| SCHEMBL31060586 | 0.79 | PDGFRB (1.00) | PDGFRBPDGFRAESR2EGFRMAP4K4 | |
| SCHEMBL19180724 | 0.79 | PDGFRB (1.00) | PDGFRBPDGFRABACE1CYP2A6CYP2E1 | |
| SCHEMBL2446769 | 0.78 | MET (0.64) | PDGFRBPDGFRA | |
| SCHEMBL8500071 | 0.78 | PDGFRB (1.00) | PDGFRBPDGFRACYP2A6EGFRNPC1 | |
| SCHEMBL31060313 | 0.78 | PDGFRB (1.00) | PDGFRBPDGFRACYP2A6EGFRNPC1 | |
| SCHEMBL12179665 | 0.77 | PDGFRB (0.51) | PDGFRBPDGFRAESR2CYP2A6CYP2E1 | |
| SCHEMBL13210803 | 0.76 | ESR1 (0.61) | ESR2BACE1CYP2B6 | |
| SCHEMBL8501272 | 0.76 | PDGFRB (1.00) | PDGFRBPDGFRABACE1CYP2A6CYP2E1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995003300-A1 | HETEROARYL QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1995-02-02 | — | — | WO | disclosed |