Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.64 |
| ▸ | HRH1 | P35367 | 1/20 | 0.64 |
| ▸ | HTR2B | P41595 | 1/20 | 0.64 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.62 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL228926 | 0.97 | SLC6A2 (0.67) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| Hydrochloric Acid SCHEMBL5831539 | 0.95 | SLC6A2 (0.64) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL5079223 | 0.82 | GFER (0.50) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL10875275 | 0.81 | HTR2A (0.59) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL10891421 | 0.80 | SLC6A2 (0.64) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL562858 | 0.80 | SLC6A2 (0.64) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL564834 | 0.79 | SLC6A2 (0.63) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL22591635 | 0.79 | ALDH1A1 (0.52) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL861221 | 0.79 | ESR1 (0.61) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL25342534 | 0.78 | SLC6A2 (0.61) | SLC6A2HTR2ASLC6A4HRH1HTR2B |
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-1706371-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005070872-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2005-08-04 | — | — | WO | disclosed |