Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL17927203 | 0.77 | CYP2C19 (0.39) | CYP2C19ALDH1A1CYP1A2HIF1AKMT2A | |
| SCHEMBL13460530 | 0.77 | CYP2C19 (0.39) | CYP2C19ALDH1A1CYP1A2HIF1AKMT2A | |
| SCHEMBL28311749 | 0.77 | CYP2C9 (0.41) | CYP2C19CYP2D6CYP1A2HIF1AMEN1 | |
| SCHEMBL15786468 | 0.73 | TAAR1 (0.47) | CYP2C19ALDH1A1HIF1AKMT2ACYP3A4 | |
| SCHEMBL6492775 | 0.72 | CYP2C19 (0.44) | CYP2C19CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL12238644 | 0.72 | CYP2C19 (0.44) | CYP2C19CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL6492778 | 0.72 | CYP2C19 (0.44) | CYP2C19CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL28310918 | 0.72 | CYP2C19 (0.38) | CYP2C19CYP2D6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL12197702 | 0.71 | MEN1 (0.48) | CYP2C19CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL14535489 | 0.70 | NPSR1 (0.38) | CYP2C19ALDH1A1CYP1A2HIF1AMEN1 |
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 2 patents. 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 |
| CN-107082749-A | A kind of preparation method of β nitrine alcohol compound | 浙江大学 | 2017-08-22 | — | — | CN | disclosed |