Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22667105 | 0.81 | GCGR (0.38) | ALDH1A1DYRK1AGSK3BADRA2AADRA2B | |
| SCHEMBL28831872 | 0.80 | DYRK1A (0.38) | CYP3A4DYRK1AGSK3BCYP2D6ADRA2A | |
| SCHEMBL1924022 | 0.76 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2DYRK1A | |
| SCHEMBL15723977 | 0.76 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL4789914 | 0.75 | CYP2A6 (0.48) | CYP2A6CYP3A4ALDH1A1CYP1A2DYRK1A | |
| SCHEMBL16051028 | 0.73 | — | — | |
| SCHEMBL23329265 | 0.72 | MKNK1 (0.49) | CYP2A6CYP3A4ALDH1A1CYP1A2DYRK1A | |
| SCHEMBL2694498 | 0.72 | NUDT1 (0.47) | DYRK1AALKCLK1NUDT1 | |
| SCHEMBL30384675 | 0.71 | METAP2 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2DYRK1A | |
| SCHEMBL21540038 | 0.71 | NUDT1 (0.45) | CYP2A6CYP3A4ALDH1A1CYP1A2DYRK1A |
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-104710420-B | Azabicyclic formula compound or its salt, containing its medicine, compositions and application | 大鹏药品工业株式会社 | 2016-07-27 | — | — | CN | disclosed |