Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | HTR2C | P28335 | 4/20 | 0.39 |
| ▸ | PLAT | P00750 | 6/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.32 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.32 |
| ▸ | CYP3A43 | Q9HB55 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL27770364 | 0.92 | RXFP1 (0.39) | HTR2AHTR2CPLATNISCHRXFP1 | |
| SCHEMBL27749306 | 0.77 | PTPN11 (0.37) | HTR2AHTR2C | |
| SCHEMBL27862115 | 0.74 | PLAT (0.36) | PLAT | |
| SCHEMBL28257114 | 0.73 | HTR2C (0.43) | HTR2AHTR2CPLATMAP4K1NISCH | |
| SCHEMBL27770358 | 0.69 | PDE4A (0.32) | — | |
| SCHEMBL16827960 | 0.65 | RXFP1 (0.43) | HTR2AHTR2CPLATMAP4K1NISCH | |
| SCHEMBL27272080 | 0.64 | TDP1 (0.34) | NISCHRXFP1 | |
| SCHEMBL27771646 | 0.64 | HTR2C (0.42) | HTR2AHTR2CHTR2B | |
| SCHEMBL16827864 | 0.63 | RXFP1 (0.60) | HTR2AHTR2CPLATMAP4K1HTR2B | |
| SCHEMBL13999767 | 0.61 | SCN9A (0.53) | HTR2AHTR2CHTR2B |
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-105814037-A | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | 默克专利股份公司 | 2016-07-27 | — | — | CN | disclosed |