Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 6/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL15776679 | 0.79 | CNR2 (0.46) | CNR2 | |
| SCHEMBL16115154 | 0.78 | CNR2 (0.50) | CNR2GSK3B | |
| SCHEMBL16702619 | 0.73 | AOC1 (0.40) | CYP17A1MAPTGSK3BHTR2AHTR2C | |
| SCHEMBL31754604 | 0.73 | CYP17A1 (0.46) | CYP17A1HTR2COPRL1CYP1A2CYP2C19 | |
| SCHEMBL15776815 | 0.73 | CNR2 (0.42) | CNR2CYP17A1OPRL1HTR1AADRA2A | |
| SCHEMBL15776333 | 0.73 | CNR2 (0.45) | CNR2GSK3B | |
| SCHEMBL19225578 | 0.72 | CNR2 (0.49) | CNR2 | |
| Formic Acid SCHEMBL28228136 | 0.72 | CNR2 (0.48) | CNR2GSK3B | |
| SCHEMBL15776129 | 0.71 | CNR2 (0.57) | CNR2 | |
| SCHEMBL15777421 | 0.71 | CNR2 (0.48) | CNR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105121436-B | New pyridine derivate | 豪夫迈·罗氏有限公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-104837818-B | It can be used as the acid amides of pyridine 2 of CB2 activators | 霍夫曼-拉罗奇有限公司 | 2017-07-14 | — | — | CN | disclosed |
| CN-105121436-A | Novel pyridine derivatives | HOFFMANN LA ROCHE | 2015-12-02 | — | — | CN | disclosed |
| CN-104837818-A | Pyridine-2-amides useful as CB2 agonists | HOFFMANN LA ROCHE | 2015-08-12 | — | — | CN | disclosed |