Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28328449 | 0.94 | CES2 (0.44) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL28328377 | 0.90 | CES2 (0.44) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL28329637 | 0.88 | BBOX1 (0.40) | CES2CES1PTGS2ALDH1A1NPSR1 | |
| SCHEMBL28329615 | 0.86 | SMN1; SMN2 (0.45) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL28329609 | 0.81 | MEN1 (0.40) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL28328383 | 0.81 | CES2 (0.47) | CES2CES1PTGS2LMNAPOLB | |
| SCHEMBL28328364 | 0.81 | AKR1C3 (0.43) | NPC1RAB9AMEN1KMT2APTGS2 | |
| SCHEMBL28878388 | 0.79 | CES2 (0.44) | CES2CES1PTGS2LMNAALDH1A1 | |
| SCHEMBL28329612 | 0.79 | KCNK3 (0.39) | NPC1RAB9AKMT2AALDH1A1HPGD | |
| SCHEMBL28328362 | 0.79 | CES2 (0.44) | CES2CES1NPC1RAB9AMEN1 |
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 |