Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KCNK2 | O95069 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL996214 | 1.00 | SLC6A4 (0.42) | SLC6A4LTA4HHTR6HTR7HTR1A | |
| SCHEMBL999410 | 0.85 | LTA4H (0.43) | LTA4HHTR6HTR7HTR1AHRH3 | |
| SCHEMBL999411 | 0.85 | LTA4H (0.43) | LTA4HHTR6HTR7HTR1AHRH3 | |
| SCHEMBL1002192 | 0.85 | HTR7 (0.44) | SLC6A4LTA4HHTR6HTR7HTR1A | |
| SCHEMBL1002190 | 0.85 | HTR7 (0.44) | SLC6A4LTA4HHTR6HTR7HTR1A | |
| SCHEMBL1002275 | 0.82 | HTR7 (0.42) | LTA4HHTR6HTR7HTR1AHRH3 | |
| SCHEMBL1002277 | 0.82 | HTR7 (0.42) | LTA4HHTR6HTR7HTR1AHRH3 | |
| SCHEMBL994992 | 0.81 | SLC6A4 (0.48) | SLC6A4LTA4HHTR6HTR1AHRH3 | |
| SCHEMBL998852 | 0.80 | SLC6A4 (0.41) | SLC6A4LTA4HHTR6HTR1AHRH3 | |
| SCHEMBL998851 | 0.80 | SLC6A4 (0.41) | SLC6A4LTA4HHTR6HTR1AHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2456436-A1 | 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS | Theravance, Inc. (US) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011011231-A1 | 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS | THERAVANCE, INC. (US) | 2011-01-27 | — | — | WO | disclosed |