Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9194705 | 0.78 | CYP2C19 (0.52) | CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL13460530 | 0.76 | CYP2C19 (0.39) | CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL17927203 | 0.76 | CYP2C19 (0.39) | CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL28311749 | 0.75 | CYP2C9 (0.41) | CYP2C19CYP1A2CYP2C9SMN1; SMN2SIGMAR1 | |
| SCHEMBL23014014 | 0.75 | CYP2C19 (0.48) | CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL11331380 | 0.73 | CYP2C19 (0.47) | CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL28173175 | 0.72 | CYP2C19 (0.37) | CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL2065092 | 0.72 | TAAR1 (0.47) | CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL8390592 | 0.72 | CYP2C19 (0.45) | CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL2065923 | 0.72 | TAAR1 (0.47) | CYP2C19CYP1A2CYP2C9ALDH1A1SMN1; SMN2 |
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-107082749-B | A kind of preparation method of β-nitrine alcohol compound | 浙江大学 | 2019-08-30 | — | — | CN | disclosed |