Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KCNK2 | O95069 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL998851 | 1.00 | SLC6A4 (0.41) | SLC6A4LTA4HMC4RHRH3MMP2 | |
| SCHEMBL997429 | 0.82 | TP53 (0.39) | LTA4HHRH3RAB9AKMT2ALMNA | |
| SCHEMBL997427 | 0.82 | TP53 (0.39) | LTA4HHRH3RAB9AKMT2ALMNA | |
| SCHEMBL994992 | 0.80 | SLC6A4 (0.48) | SLC6A4LTA4HHRH3KDM4EALDH1A1 | |
| SCHEMBL996214 | 0.80 | SLC6A4 (0.42) | SLC6A4LTA4HHRH3MMP2MMP9 | |
| SCHEMBL996213 | 0.80 | SLC6A4 (0.42) | SLC6A4LTA4HHRH3MMP2MMP9 | |
| SCHEMBL14829991 | 0.76 | MMP2 (0.45) | SLC6A4LTA4HHRH3MMP2MMP9 | |
| SCHEMBL999194 | 0.76 | SLC6A4 (0.43) | SLC6A4HRH3KDM4EALDH1A1SLC6A2 | |
| SCHEMBL999196 | 0.76 | SLC6A4 (0.43) | SLC6A4HRH3KDM4EALDH1A1SLC6A2 | |
| SCHEMBL1079982 | 0.74 | CYP2C8 (0.35) | SLC6A4CYP2C9TSHRDRD2HTR2A |
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 |