Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28329617 | 0.77 | CES2 (0.35) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL28328450 | 0.76 | NPSR1 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL28328374 | 0.74 | CYP1A2 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL28328449 | 0.73 | CES2 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL28329612 | 0.73 | KCNK3 (0.39) | ALDH1A1HPGDMAOAMAOBSMN1; SMN2 | |
| SCHEMBL28329637 | 0.73 | BBOX1 (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL28328372 | 0.72 | CES2 (0.47) | ALDH1A1NPSR1CES2CES1HPGD | |
| SCHEMBL28329615 | 0.69 | SMN1; SMN2 (0.45) | ALDH1A1POLBMAPTSMN1; SMN2ACHE | |
| SCHEMBL9806295 | 0.65 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL6548199 | 0.65 | NPC1 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 |
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-110452145-B | Synthetic method of alpha, beta-unsaturated selenium compound | 温州大学 | 2021-04-13 | — | — | CN | disclosed |
| CN-110452145-A | α, β-unsaturation selenium class compound synthetic method | UNIV WENZHOU | 2019-11-15 | — | — | CN | disclosed |