Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.35 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28284728 | 1.00 | TACR1 (0.37) | TACR1IDO1TDO2RAPGEF4RAPGEF3 | |
| SCHEMBL3913019 | 0.81 | PNMT (0.47) | IDO1TDO2CES2CTSSMAPT | |
| SCHEMBL18210542 | 0.79 | PDE2A (0.46) | CES2L3MBTL1ALDH1A1 | |
| SCHEMBL9946554 | 0.77 | PDE2A (0.38) | TACR1IDO1TDO2RAPGEF4RAPGEF3 | |
| SCHEMBL13950150 | 0.77 | PDE2A (0.38) | TACR1IDO1TDO2RAPGEF4RAPGEF3 | |
| SCHEMBL4320385 | 0.77 | PDE2A (0.38) | TACR1IDO1TDO2RAPGEF4RAPGEF3 | |
| SCHEMBL25982617 | 0.76 | AR (0.40) | RAPGEF4RAPGEF3CES2ARALDH1A1 | |
| SCHEMBL5779734 | 0.75 | TRPA1 (0.43) | TACR1IDO1TDO2RAPGEF4RAPGEF3 | |
| SCHEMBL437277 | 0.75 | TACR1 (0.42) | TACR1IDO1TDO2RAPGEF4CES2 | |
| SCHEMBL27741685 | 0.75 | TACR1 (0.38) | TACR1IDO1TDO2RAPGEF4RAPGEF3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105523916-B | Synthesis how the method for appropriate pyrrole smooth intermediate impurities 2- (3,5- bis trifluoromethyl phenyl) propionic acid | 中国科学技术大学先进技术研究院 | 2019-03-19 | — | — | CN | claimed |
| CN-105523916-A | Method for synthetizing Netupitant midbody impurity 2-(3,5-Bis-trifluoromethyl-phenyl) propionic acid | INST OF ADVANCED TECH UNIV OF SCIENCE AND TECH OF CHINA | 2016-04-27 | — | — | CN | claimed |
| CN-105523916-B | Synthesis how the method for appropriate pyrrole smooth intermediate impurities 2- (3,5- bis trifluoromethyl phenyl) propionic acid | 中国科学技术大学先进技术研究院 | 2019-03-19 | — | — | CN | disclosed |
| CN-105523916-A | Method for synthetizing Netupitant midbody impurity 2-(3,5-Bis-trifluoromethyl-phenyl) propionic acid | INST OF ADVANCED TECH UNIV OF SCIENCE AND TECH OF CHINA | 2016-04-27 | — | — | CN | disclosed |
| CN-105523916-A | Method for synthetizing Netupitant midbody impurity 2-(3,5-Bis-trifluoromethyl-phenyl) propionic acid | INST OF ADVANCED TECH UNIV OF SCIENCE AND TECH OF CHINA | 2016-04-27 | — | — | CN | disclosed |