Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 8/20 | 0.57 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.57 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.57 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.57 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | CHRNG | P07510 | 1/20 | 0.57 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.57 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.57 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.57 |
| ▸ | HTR3A | P46098 | 1/20 | 0.57 |
| ▸ | CHRND | Q07001 | 1/20 | 0.57 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL15003906 | 1.00 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL16343697 | 1.00 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL13285194 | 0.80 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL6886940 | 0.78 | CHRNB2 (0.70) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL29761231 | 0.78 | CHRNB2 (0.70) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL21074656 | 0.78 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL14117078 | 0.77 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL21074729 | 0.74 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL21074660 | 0.73 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| Varenicline SCHEMBL225687 | 0.73 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2785723-B1 | DIFLUOROMETHYLATION OF UNSATURATED COMPOUNDS | SCRIPPS RESEARCH INST (US) | 2016-10-05 | — | — | EP | disclosed |