Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL17744946 | 0.88 | CYP17A1 (0.57) | CYP17A1AURKARPS6KB1NAMPTDRD2 | |
| SCHEMBL23336325 | 0.83 | CYP17A1 (0.62) | CYP17A1AURKARPS6KB1NAMPTDRD2 | |
| SCHEMBL31016329 | 0.82 | CYP17A1 (0.57) | CYP17A1AURKARPS6KB1NAMPTDRD2 | |
| SCHEMBL1853151 | 0.82 | CYP17A1 (0.54) | CYP17A1NAMPTHDAC1HDAC6PPARG | |
| SCHEMBL132701 | 0.81 | CYP17A1 (0.76) | CYP17A1NAMPTDRD2PTGDR2MAPK14 | |
| SCHEMBL16523129 | 0.81 | CYP17A1 (0.56) | CYP17A1AURKARPS6KB1NAMPTDRD2 | |
| SCHEMBL13055402 | 0.80 | CYP17A1 (0.59) | CYP17A1NAMPTDRD2PTGDR2MAPK14 | |
| SCHEMBL15996891 | 0.80 | SMN1; SMN2 (0.53) | CYP17A1AURKARPS6KB1NAMPTDRD2 | |
| SCHEMBL6195004 | 0.80 | CYP17A1 (0.61) | CYP17A1AURKARPS6KB1NAMPTDRD2 | |
| SCHEMBL10361607 | 0.80 | CYP17A1 (0.61) | CYP17A1NAMPTDRD2PTGDR2MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105899496-A | OXAZOLIDINONE DERIVATIVES AS PPAR LIGANDS | 安达卢西亚健康服务部 | 2016-08-24 | — | — | CN | disclosed |