Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 7/20 | 0.39 |
| ▸ | PPARG | P37231 | 6/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16586992 | 0.86 | AKT1 (0.42) | ITGB3ITGA2BACEAKT1PPARA | |
| SCHEMBL29695475 | 0.81 | PPARA (0.41) | ITGB3ITGA2BACEPPARAPPARG | |
| SCHEMBL5262244 | 0.78 | PPARA (0.43) | ITGB3ITGA2BACEAKT1PPARA | |
| SCHEMBL5973148 | 0.78 | FOLH1 (0.43) | ACEPPARAPPARGIDO1PPARD | |
| SCHEMBL12369655 | 0.77 | CTSK (0.52) | ITGB3ITGA2BPPARAPPARGCYP1A2 | |
| SCHEMBL13577832 | 0.77 | CTSK (0.52) | ITGB3ITGA2BPPARAPPARGCYP1A2 | |
| SCHEMBL12228690 | 0.77 | CTSK (0.52) | ITGB3ITGA2BPPARAPPARGCYP1A2 | |
| SCHEMBL5916340 | 0.77 | CYP1A2 (0.59) | ACEPPARAPPARGPPARDCYP1A2 | |
| SCHEMBL20473230 | 0.77 | CYP1A2 (0.59) | ACEPPARAPPARGPPARDCYP1A2 | |
| SCHEMBL718684 | 0.77 | CYP1A2 (0.59) | ACEPPARAPPARGPPARDCYP1A2 |
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-108863888-A | The preparation method of one kind (s) -1- (tertbutyloxycarbonyl) -5- oxygen pyrrolidines -2- carboxylic acid, ethyl ester | 吉尔生化（上海）有限公司 | 2018-11-23 | — | — | CN | disclosed |