Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL751765 | 0.79 | DAO (0.44) | TAAR1DAOIDO1MAOAALDH1A1 | |
| SCHEMBL1108477 | 0.76 | TAAR1 (0.50) | TAAR1DAOMAOATSHR | |
| SCHEMBL2096666 | 0.75 | SRD5A2 (0.59) | TAAR1IDO1SRD5A2MAOBALDH1A1 | |
| SCHEMBL11385118 | 0.75 | DAO (0.49) | TAAR1DAOIDO1MAOA | |
| SCHEMBL28399049 | 0.75 | HRH3 (0.52) | TAAR1IDO1MAOAALDH1A1PYCR1 | |
| SCHEMBL23528212 | 0.75 | DAO (0.44) | TAAR1DAOIDO1SRD5A2MAOA | |
| SCHEMBL27533766 | 0.75 | CYP3A4 (0.52) | MAOBMAOAALDH1A1TSHR | |
| SCHEMBL20117842 | 0.75 | HRH3 (0.55) | TAAR1MAOA | |
| Hydrochloric Acid SCHEMBL27287864 | 0.74 | TAAR1 (0.48) | TAAR1DAOMAOATSHR | |
| SCHEMBL27647887 | 0.73 | TAAR1 (0.43) | TAAR1IDO1TSHR |
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-108218753-A | A kind of preparation method of 2- (4- trifluoromethyl benzyls) pyrrolidines | 湖南华腾制药有限公司 | 2018-06-29 | — | — | CN | disclosed |