Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28328372 | 0.94 | CES2 (0.47) | CES2CES1PTGS2NPC1RAB9A | |
| SCHEMBL28329637 | 0.86 | BBOX1 (0.40) | CES2CES1PTGS2ALDH1A1TSHR | |
| SCHEMBL28328377 | 0.84 | CES2 (0.44) | CES2CES1PTGS2NPC1RAB9A | |
| SCHEMBL28329615 | 0.84 | SMN1; SMN2 (0.45) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28329618 | 0.81 | CES2 (0.44) | CES2CES1PTGS2MAPTTSHR | |
| SCHEMBL28329633 | 0.81 | PTGS2 (0.40) | PTGS2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28329608 | 0.81 | TPMT (0.34) | ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28328421 | 0.81 | KMT2A (0.38) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL28328373 | 0.80 | NPC1 (0.38) | PTGS2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL28328363 | 0.80 | ACHE (0.36) | 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 |