Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1002941 | 0.67 | SLC6A2 (0.34) | HCRTR2SLC6A3 | |
| SCHEMBL2044237 | 0.63 | KDM4E (0.50) | CYP2D6KDM4ENPC1CYP1A2HPGD | |
| SCHEMBL7149465 | 0.63 | CYP2D6 (0.34) | CYP2D6HCRTR2KCNH2HTR1AHRH1 | |
| SCHEMBL24252041 | 0.62 | HTR2C (0.34) | HCRTR2KCNH2HTR2AHTR2CHTR2B | |
| SCHEMBL10326466 | 0.61 | CYP1A2 (0.41) | TACR1CYP2D6KDM4ENPC1CYP1A2 | |
| SCHEMBL10326585 | 0.61 | CYP1A2 (0.41) | TACR1CYP2D6KDM4ENPC1CYP1A2 | |
| SCHEMBL10327169 | 0.61 | CYP1A2 (0.41) | TACR1CYP2D6KDM4ENPC1CYP1A2 | |
| SCHEMBL24252075 | 0.60 | HTR2A (0.33) | HTR2AHTR2CHTR2B | |
| SCHEMBL17186941 | 0.59 | ELANE (0.33) | HTR2AHTR2CHTR2B | |
| SCHEMBL13930842 | 0.59 | KDM4E (0.35) | CYP2D6KDM4ENPC1CYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011011231-A1 | 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS | THERAVANCE, INC. (US) | 2011-01-27 | — | — | WO | disclosed |