Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | EDNRA | P25101 | 2/20 | 0.47 |
| ▸ | EDNRB | P24530 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL7562607 | 1.00 | CA4 (0.61) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL28177334 | 1.00 | CA4 (0.61) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL250580 | 1.00 | CA4 (0.61) | CA4CES2CES1LTA4HCA1 | |
| Anisole SCHEMBL2335694 | 0.92 | CA4 (0.52) | CA4CES2CES1LTA4HPPARG | |
| Anisole SCHEMBL28945470 | 0.91 | CA4 (0.50) | CA4CES2CES1LTA4HPPARG | |
| Anisole SCHEMBL7204405 | 0.91 | CA4 (0.50) | CA4CES2CES1LTA4HCA1 | |
| 1,3-Dimethoxybenzene SCHEMBL11452224 | 0.88 | LMNA (0.58) | CES2CES1SMN1; SMN2 | |
| Anisole SCHEMBL7444295 | 0.88 | CA4 (0.47) | CA4CES2CES1LTA4HCA1 | |
| Trifluoroacetic Acid SCHEMBL27892361 | 0.87 | RAB9A (0.50) | CES2CES1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL27598900 | 0.87 | RAB9A (0.50) | CES2CES1ALDH1A1 |
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-105152960-B | Automatic preparation method and device for ＜18＞F-(2S,4R)-4-fluoro-L-glutamine | 北京脑重大疾病研究院 | 2017-04-19 | — | — | CN | disclosed |