Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.48 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 4/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4727924 | 0.91 | MAPT (0.49) | MAPK1CYP3A4CYP1A2CLK4ALDH1A1 | |
| SCHEMBL4725570 | 0.86 | IP6K1 (0.50) | CYP3A4CLK4CYP19A1IP6K1EGFR | |
| SCHEMBL4728459 | 0.82 | PDE10A (0.56) | CYP1A2 | |
| SCHEMBL4728722 | 0.78 | ADORA2A (0.53) | CYP3A4CLK4MAPTIP6K1EGFR | |
| SCHEMBL4725552 | 0.78 | POLB (0.47) | MAPTIP6K1EGFRERBB2 | |
| SCHEMBL14726308 | 0.77 | PDE5A (0.52) | MAPK1CYP3A4CYP1A2CLK4ALDH1A1 | |
| SCHEMBL24589756 | 0.77 | CLK4 (0.59) | MAPK1CYP3A4CYP1A2CLK4ALDH1A1 | |
| SCHEMBL4727883 | 0.77 | CYP3A4 (0.49) | CYP3A4CLK4MAPTCYP19A1IP6K1 | |
| SCHEMBL4727502 | 0.76 | PDE10A (0.43) | CYP3A4CYP1A2CLK4ALDH1A1HSD17B10 | |
| SCHEMBL5583002 | 0.75 | MAPK1 (0.56) | MAPK1CYP3A4MAPTCYP19A1CYP11B1 |
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 |