Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 2/20 | 0.33 |
| ▸ | CDK8 | P49336 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | ITK | Q08881 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3695341 | 0.78 | NPC1 (0.42) | FASNKDRPTGS2MAOANPC1 | |
| SCHEMBL6729868 | 0.77 | FASN (0.36) | HDAC2FASN | |
| SCHEMBL13604756 | 0.75 | CTNNB1 (0.44) | FASNMEN1MAPTKMT2ANPC1 | |
| SCHEMBL3697684 | 0.73 | MAOA (0.41) | FASNKDRPTGS2MAOAMAPT | |
| SCHEMBL3695400 | 0.71 | TNIK (0.41) | FASNKDRCDK1CYP17A1CYP11B1 | |
| SCHEMBL3701778 | 0.70 | EGFR (0.43) | FASNKDRPTGS2CDK1CYP17A1 | |
| SCHEMBL3701776 | 0.68 | HTT (0.45) | FASNKDRPTGS2 | |
| SCHEMBL6730073 | 0.67 | AOC3 (0.34) | FASNCDK8ENPP2 | |
| SCHEMBL3699988 | 0.64 | ROCK1 (0.42) | FASNKDRMAOACYP17A1CYP11B1 | |
| SCHEMBL3695648 | 0.64 | KDM4E (0.47) | PTGS2GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | disclosed |