Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | 0.74 | CES2 (0.35) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL28878385 | 0.74 | ALDH1A1 (0.36) | CYP1A2CYP2C9CYP2C19GAAALDH1A1 | |
| SCHEMBL28328424 | 0.70 | ALOX5 (0.39) | — | |
| SCHEMBL28329637 | 0.70 | BBOX1 (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1TDP1 | |
| SCHEMBL7695549 | 0.68 | KDM4E (0.47) | CYP1A2NPC1RAB9ACYP3A4CYP2D6 | |
| SCHEMBL31243217 | 0.67 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19NR4A1 | |
| SCHEMBL1059102 | 0.67 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19NR4A1 | |
| SCHEMBL28140673 | 0.67 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19NR4A1 | |
| SCHEMBL9806349 | 0.67 | NR4A1 (0.52) | CYP1A2NPC1RAB9ACYP3A4CYP2D6 | |
| SCHEMBL9806354 | 0.67 | NR4A1 (0.52) | CYP1A2NPC1RAB9ACYP3A4CYP2D6 |
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 |