Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 3/20 | 0.47 |
| ▸ | HTR6 | P50406 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL996958 | 1.00 | HTR7 (0.47) | HTR7HTR6HTR1ADRD2HTR2A | |
| SCHEMBL8645200 | 0.87 | HTR7 (0.48) | HTR7HTR6HTR1ADRD2HTR2A | |
| SCHEMBL8645197 | 0.87 | HTR7 (0.48) | HTR7HTR6HTR1ADRD2HTR2A | |
| SCHEMBL1079153 | 0.87 | HTR7 (0.54) | HTR7HTR6HTR1ADRD2HTR2A | |
| SCHEMBL1079151 | 0.87 | HTR7 (0.54) | HTR7HTR6HTR1ADRD2HTR2A | |
| SCHEMBL995904 | 0.85 | HTR7 (0.38) | HTR7HTR6HTR1ADRD2HTR2A | |
| SCHEMBL998155 | 0.81 | HTR7 (0.41) | HTR7HTR6HTR1ADRD2HTR2A | |
| SCHEMBL998156 | 0.81 | HTR7 (0.41) | HTR7HTR6HTR1ADRD2HTR2A | |
| SCHEMBL1002190 | 0.76 | HTR7 (0.44) | HTR7HTR6HTR1AALDH1A1SMN1; SMN2 | |
| SCHEMBL1002192 | 0.76 | HTR7 (0.44) | HTR7HTR6HTR1AALDH1A1SMN1; SMN2 |
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 |