Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9479770 | 0.83 | CYP2D6 (0.37) | CYP2D6CYP2C19HTR2ATAAR1KDM4E | |
| SCHEMBL10627463 | 0.81 | CYP2D6 (0.42) | CYP2D6CYP2C19HTR2ATAAR1KDM4E | |
| SCHEMBL6016109 | 0.79 | CYP2C19 (0.39) | CYP2C19HTR2ATAAR1KDM4EDPP4 | |
| SCHEMBL3402837 | 0.78 | CYP2C19 (0.53) | CYP2D6CYP2C19HTR2ATAAR1KDM4E | |
| SCHEMBL3172290 | 0.78 | IDO1 (0.34) | KDM4E | |
| SCHEMBL2001329 | 0.77 | CYP2D6 (0.39) | CYP2D6CYP2C19HTR2ATAAR1KDM4E | |
| SCHEMBL6817626 | 0.77 | CYP2D6 (0.39) | CYP2D6CYP2C19HTR2ATAAR1KDM4E | |
| SCHEMBL1935210 | 0.77 | TAAR1 (0.52) | CYP2D6HTR2ATAAR1DPP4HRH1 | |
| SCHEMBL10584869 | 0.77 | CYP2D6 (0.39) | CYP2D6CYP2C19HTR2ATAAR1KDM4E | |
| SCHEMBL218804 | 0.77 | LMNA (0.46) | CYP2D6HTR2ATAAR1KDM4EL3MBTL1 |
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-109651220-A | A kind of plumbagin selenium ester derivative and its preparation method and application | 浙江省化工研究院有限公司 | 2019-04-19 | — | — | CN | disclosed |