Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2763761 | 1.00 | CHRNB2 (0.39) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL2763759 | 1.00 | CHRNB2 (0.39) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL63455 | 0.77 | CHRM2 (0.40) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6129709 | 0.77 | CHRM2 (0.40) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL2173336 | 0.76 | SLC6A3 (0.42) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3973022 | 0.75 | CHRM2 (0.40) | CYP3A4MAPK1MAOAMAOB | |
| SCHEMBL7107611 | 0.75 | CHRM2 (0.40) | CYP3A4MAPK1MAOAMAOB | |
| SCHEMBL27958529 | 0.73 | CHRNB2 (0.34) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL12327975 | 0.73 | CHRNB2 (0.33) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL30046507 | 0.73 | CYP3A4 (0.37) | CYP3A4MAPK1ALDH1A1LMNAGAA |
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-110903172-B | Method for stereoselectively synthesizing (E) -tri-substituted olefin | 温州大学 | 2021-08-24 | — | — | CN | disclosed |
| CN-110903172-A | Method for stereoselectively synthesizing (E) -tri-substituted olefin | 温州大学 | 2020-03-24 | — | — | CN | disclosed |