Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL29647878 | 0.90 | TRPA1 (0.44) | TAAR1PPARGPPARADPP4DPP7 | |
| SCHEMBL345975 | 0.90 | TRPA1 (0.44) | TAAR1PPARGPPARADPP4DPP7 | |
| SCHEMBL9817577 | 0.81 | TRPA1 (0.42) | TAAR1PPARGPPARASLC6A2SLC6A4 | |
| SCHEMBL27531705 | 0.81 | CYP1A2 (0.50) | TAAR1PPARGPPARASLC6A2SLC6A4 | |
| SCHEMBL8418317 | 0.81 | CYP1A2 (0.50) | TAAR1PPARGPPARASLC6A2SLC6A4 | |
| SCHEMBL20694193 | 0.80 | TAAR1 (0.45) | TAAR1PPARGPPARASLC6A2SLC6A4 | |
| SCHEMBL3935731 | 0.79 | DPP4 (0.47) | TAAR1PPARGPPARADPP4DPP7 | |
| SCHEMBL7997555 | 0.79 | DPP4 (0.47) | TAAR1PPARGPPARADPP4DPP7 | |
| SCHEMBL17101198 | 0.78 | TAAR1 (0.54) | TAAR1PPARGPPARADPP4DPP7 | |
| SCHEMBL13812287 | 0.77 | TAAR1 (0.46) | TAAR1PPARGPPARASLC6A2SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106103423-B | Pyrazine compounds | 阿斯利康(瑞典)有限公司 | 2019-12-06 | — | — | CN | disclosed |
| CN-106103423-A | Chemical compound | 阿斯利康(瑞典)有限公司 | 2016-11-09 | — | — | CN | disclosed |