Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10954119 | 0.85 | CYP1A2 (0.56) | ACHECYP1A2CYP2C9CYP2C19AR | |
| SCHEMBL22911513 | 0.84 | AR (0.38) | ACHEARMAPTALDH1A1GAA | |
| SCHEMBL15850624 | 0.79 | MAPK1 (0.41) | ARMAPTALDH1A1GAATSHR | |
| SCHEMBL20738253 | 0.79 | MAPT (0.40) | CYP1A2ARMAPTALDH1A1GAA | |
| SCHEMBL3871304 | 0.78 | AR (0.50) | CYP1A2CYP2C19ARMAPTALDH1A1 | |
| SCHEMBL29408555 | 0.78 | AR (0.50) | CYP1A2CYP2C19ARMAPTALDH1A1 | |
| SCHEMBL27935035 | 0.76 | MAPT (0.41) | CYP1A2CYP2C19ARMAPTALDH1A1 | |
| SCHEMBL709848 | 0.76 | MAPT (0.46) | CYP1A2CYP2C19ARMAPTALDH1A1 | |
| SCHEMBL18240374 | 0.74 | AR (0.44) | CYP1A2CYP2C19ARMAPTALDH1A1 | |
| SCHEMBL8999373 | 0.74 | MAPT (0.40) | CYP1A2CYP2C19ARMAPTALDH1A1 |
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-115215774-A | Deuteration method of methyl sulfide compound | 复旦大学 | 2022-10-21 | — | — | CN | disclosed |