Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 2/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL6014124 | 0.78 | CYP2A6 (0.60) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL177345 | 0.77 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL28129144 | 0.77 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL18936170 | 0.77 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL14677379 | 0.77 | CYP2A6 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL18585605 | 0.77 | CYP2A6 (0.47) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL5032875 | 0.76 | HRH3 (0.51) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL5032985 | 0.76 | HRH3 (0.58) | CYP2A6HRH3 | |
| SCHEMBL12356972 | 0.74 | CYP2A6 (0.49) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL5032790 | 0.73 | HRH3 (0.55) | CYP2A6HRH3 |
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-106478500-A | Carboxylic acid-substituted（Miscellaneous）Aromatic ring analog derivative and its production and use | 广东东阳光药业有限公司 | 2017-03-08 | — | — | CN | disclosed |