Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | BRAF | P15056 | 5/20 | 0.43 |
| ▸ | RAF1 | P04049 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | CD38 | P28907 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.39 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.39 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15712193 | 0.79 | ADORA2A (0.62) | MAP4K4EGFRABCG2BRAFRAF1 | |
| SCHEMBL4725552 | 0.78 | POLB (0.47) | EGFRIP6K1 | |
| SCHEMBL4783706 | 0.78 | EGFR (0.52) | EGFRABCG2BRAFKDRMAPK14 | |
| SCHEMBL14189306 | 0.72 | BRAF (0.52) | KMOMAP4K4EGFRABCG2BRAF | |
| SCHEMBL28872934 | 0.72 | ADORA2A (0.66) | MAP4K4ABCG2BRAFRAF1HTT | |
| SCHEMBL29986457 | 0.72 | ADORA2A (0.66) | MAP4K4ABCG2BRAFRAF1HTT | |
| SCHEMBL4726507 | 0.72 | MAP4K4 (0.47) | MAP4K4BRAFRAF1ADORA2A | |
| SCHEMBL1725601 | 0.72 | THRB (0.44) | KMOADORA2AMAPK14ADORA1 | |
| SCHEMBL1724006 | 0.72 | CCNA2 (0.43) | KMOMAP4K4EGFRBRAFRAF1 | |
| SCHEMBL22342531 | 0.71 | NTRK1 (0.45) | KMOBRAFADORA2AKDRADORA1 |
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 |