Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15088988 | 0.92 | PDE6D (0.37) | COMTGAA | |
| SCHEMBL15089045 | 0.90 | CYP19A1 (0.37) | PDK2CYP11B1CYP17A1CYP19A1CYP11B2 | |
| SCHEMBL15088982 | 0.90 | PDK2 (0.36) | PDK2CYP11B1CYP17A1CYP19A1CYP11B2 | |
| SCHEMBL15089013 | 0.88 | CYP2A6 (0.36) | PDK2CYP19A1BACE1CYP2A6GAA | |
| SCHEMBL15089007 | 0.83 | HSD17B10 (0.44) | CYP11B1CYP11B2GAAMAPTMAPK1 | |
| SCHEMBL15089004 | 0.82 | KDM4E (0.45) | MEN1GAAMAPTHTTHSD17B10 | |
| SCHEMBL15088851 | 0.80 | PDE6D (0.37) | — | |
| SCHEMBL15089186 | 0.79 | PDE6D (0.36) | MEN1GAAMAPT | |
| SCHEMBL15089223 | 0.78 | PDK2 (0.35) | PDK2CYP11B1CYP17A1CYP19A1CYP11B2 | |
| SCHEMBL15089002 | 0.77 | PDE6D (0.34) | — |
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-2013100497-A1 | ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | 주식회사 두산 (KR) | 2013-07-04 | — | — | WO | disclosed |