Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | KIT | P10721 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 4/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | ROS1 | P08922 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4728722 | 0.92 | ADORA2A (0.53) | CYP3A4KITGRM4MEN1MAPT | |
| SCHEMBL4725570 | 0.90 | IP6K1 (0.50) | CYP3A4ADORA2AF2CYP19A1EGFR | |
| SCHEMBL4727924 | 0.86 | MAPT (0.49) | CYP3A4KITGRM4MEN1MAPT | |
| SCHEMBL4728679 | 0.86 | KIT (0.56) | CYP3A4KITMEN1MAPTKDR | |
| SCHEMBL4783734 | 0.81 | PDE10A (0.59) | — | |
| SCHEMBL27904633 | 0.77 | PRMT5 (0.57) | CYP3A4KITMEN1MAPTKDR | |
| SCHEMBL5465811 | 0.77 | MEN1 (0.55) | CYP3A4KITGRM4MEN1MAPT | |
| SCHEMBL856483 | 0.77 | CYP3A4 (0.51) | CYP3A4KITGRM4MEN1MAPT | |
| SCHEMBL4725560 | 0.77 | MAPK1 (0.50) | CYP3A4MEN1MAPTKMT2ACYP19A1 | |
| Hydrochloric Acid SCHEMBL7211024 | 0.76 | CYP3A4 (0.50) | CYP3A4KITGRM4MEN1MAPT |
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-2008020302-A2 | HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-02-21 | — | — | WO | disclosed |