Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 2/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28329637 | 0.78 | BBOX1 (0.40) | MTNR1AMTNR1BCES2CES1ALDH1A1 | |
| SCHEMBL28328367 | 0.75 | MAOB (0.41) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28329615 | 0.73 | SMN1; SMN2 (0.45) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28328372 | 0.73 | CES2 (0.47) | NPC1RAB9ACES2CES1MEN1 | |
| SCHEMBL9520429 | 0.71 | MTNR1A (0.57) | MTNR1AMTNR1BNPC1RAB9ACES2 | |
| SCHEMBL9520444 | 0.71 | MTNR1A (0.57) | MTNR1AMTNR1BNPC1RAB9ACES2 | |
| SCHEMBL9520437 | 0.71 | MTNR1A (0.57) | MTNR1AMTNR1BNPC1RAB9ACES2 | |
| SCHEMBL28242817 | 0.70 | ACHE (0.54) | NPC1RAB9ACES2CES1ALDH1A1 | |
| SCHEMBL28328449 | 0.70 | CES2 (0.44) | NPC1RAB9ACES2CES1MEN1 | |
| SCHEMBL28329613 | 0.70 | PARP1 (0.42) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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 |