Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21047609 | 1.00 | CYP2A6 (0.38) | CYP2A6HCRTR1HCRTR2CA12CA9 | |
| SCHEMBL4147085 | 0.76 | SLC6A4 (0.52) | CYP2A6CA12CA9CA2CA1 | |
| SCHEMBL21047700 | 0.74 | PTGS1 (0.43) | HCRTR1HCRTR2PTGS1PTGS2 | |
| SCHEMBL21047620 | 0.71 | CYP2A6 (0.37) | CYP2A6HCRTR1HCRTR2CA12CA9 | |
| SCHEMBL29586210 | 0.71 | CYP2A6 (0.37) | CYP2A6HCRTR1HCRTR2CA12CA9 | |
| SCHEMBL21047569 | 0.71 | ALOX5 (0.37) | CYP2A6CA12CA9CA2CA1 | |
| SCHEMBL29587505 | 0.71 | HDAC3 (0.37) | CYP2A6CA12CA9CA2CA1 | |
| SCHEMBL21047915 | 0.71 | HDAC3 (0.37) | CYP2A6CA12CA9CA2CA1 | |
| SCHEMBL21047593 | 0.70 | PDE4A (0.36) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21047871 | 0.69 | CA12 (0.41) | CYP2A6CA12CA9CA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109563016-B | Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material | 关东电化工业株式会社 | 2022-05-13 | — | — | CN | disclosed |