Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4910575 | 0.83 | IDO1 (0.37) | CES2CES1ALDH1A1GAA | |
| SCHEMBL16951668 | 0.78 | CES2 (0.40) | CES2CES1ALDH1A1BCAT1BCHE | |
| SCHEMBL27263318 | 0.78 | CES2 (0.47) | CES2CES1ALDH1A1BCAT1BCHE | |
| SCHEMBL6549654 | 0.78 | CES2 (0.40) | CES2CES1ALDH1A1BCAT1BCHE | |
| SCHEMBL953145 | 0.78 | CES2 (0.40) | CES2CES1ALDH1A1BCAT1BCHE | |
| SCHEMBL6405941 | 0.76 | CES2 (0.44) | CES2CES1BCHESLC6A2SLC6A4 | |
| SCHEMBL16956757 | 0.75 | CES2 (0.47) | CES2CES1BCHESLC6A2SLC6A4 | |
| SCHEMBL10859313 | 0.73 | CES2 (0.37) | CES2CES1ALDH1A1BCAT1 | |
| SCHEMBL953306 | 0.73 | CES2 (0.37) | CES2CES1ALDH1A1BCAT1GAA | |
| SCHEMBL7777116 | 0.71 | CES2 (0.53) | CES2CES1BCHEGAASLC6A2 |
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-116730824-B | Synthesis method of 2,4, 5-trifluoro phenylacetic acid | 山东国邦药业有限公司 | 2023-10-17 | — | — | CN | disclosed |
| CN-116730824-A | Synthesis method of 2,4, 5-trifluoro phenylacetic acid | 山东国邦药业有限公司 | 2023-09-12 | — | — | CN | disclosed |