Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.48 |
| ▸ | USP2 | O75604 | 9/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | CASP7 | P55210 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30341176 | 0.82 | GRM5 (0.46) | CYP1A2CYP3A4USP2CYP2C19MAPK1 | |
| SCHEMBL256372 | 0.82 | GRM5 (0.46) | CYP1A2CYP3A4USP2CYP2C19MAPK1 | |
| Benzamide SCHEMBL27825323 | 0.76 | GRM5 (0.51) | CYP1A2CYP3A4CYP2C19GRM5LTA4H | |
| SCHEMBL28195658 | 0.71 | HDAC1 (0.58) | CYP1A2CYP3A4USP2CYP2C19CYP2D6 | |
| SCHEMBL27485126 | 0.71 | CYP3A4 (0.45) | CYP1A2CYP3A4USP2CYP2C19CYP2D6 | |
| SCHEMBL14820091 | 0.71 | GRM5 (0.54) | GRM5EGFR | |
| SCHEMBL1398869 | 0.69 | FDPS (0.41) | CYP1A2CYP3A4USP2CYP2C19CYP2D6 | |
| SCHEMBL680855 | 0.68 | FGFR1 (0.56) | CYP1A2CYP3A4USP2CYP2C19MAPK1 | |
| Hydrochloric Acid SCHEMBL4456679 | 0.67 | FGFR1 (0.54) | CYP1A2CYP3A4USP2CYP2C19MAPK1 | |
| SCHEMBL16012870 | 0.66 | CYP3A4 (0.54) | CYP1A2CYP3A4USP2CYP2C19CYP2D6 |
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-109651370-A | A kind of purine analog derivative free radical precursor molecule and preparation method thereof | 桂林理工大学 | 2019-04-19 | — | — | CN | disclosed |