Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 7/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2588588 | 0.81 | SMN1; SMN2 (0.39) | MAPK1PDE2AAKR1C3AKR1C2 | |
| SCHEMBL2454760 | 0.76 | PDE2A (0.41) | PDE2A | |
| SCHEMBL2384740 | 0.75 | CNR2 (0.41) | PDE2A | |
| SCHEMBL2577293 | 0.75 | RAB9A (0.40) | MAPK1KEAP1 | |
| SCHEMBL4943891 | 0.70 | NPC1 (0.42) | PDE2A | |
| SCHEMBL15269267 | 0.70 | ACHE (0.46) | — | |
| SCHEMBL14718500 | 0.69 | HTT (0.43) | KEAP1HDAC2 | |
| SCHEMBL185475 | 0.69 | PPARG (0.42) | KEAP1PDE2A | |
| SCHEMBL14674493 | 0.69 | GCK (0.45) | MAPK1 | |
| SCHEMBL6557724 | 0.69 | ALDH1A1 (0.52) | KEAP1RELAMAP4K4 |
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-2011137219-A1 | INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) | SCHERING CORPORATION (US) | 2011-11-03 | — | — | WO | disclosed |