Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 19/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 12/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12594506 | 0.85 | ADRB2 (0.54) | ADRB2ADRB1 | |
| SCHEMBL561768 | 0.84 | ADRB2 (0.53) | ADRB2ADRB1 | |
| SCHEMBL20321903 | 0.84 | ADRB2 (0.54) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| SCHEMBL18239919 | 0.83 | ADRB2 (0.43) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| SCHEMBL19350700 | 0.81 | ADRB2 (0.62) | ADRB2ADRB1 | |
| SCHEMBL13494723 | 0.80 | ADRB1 (0.46) | ADRB2ADRB1 | |
| SCHEMBL18227270 | 0.80 | MAOA (0.41) | ADRB2ADRB1 | |
| SCHEMBL28171184 | 0.80 | MAOA (0.34) | ADRB2 | |
| SCHEMBL17481985 | 0.78 | ADRB2 (0.39) | ADRB2ADRB1 | |
| SCHEMBL1856496 | 0.77 | ADRB2 (0.47) | ADRB2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107108502-A | having beta2Biphenyl derivatives with receptor agonism and M receptor antagonistic activity and application thereof in medicine | 四川海思科制药有限公司 | 2017-08-29 | — | — | CN | disclosed |
| WO-2016180349-A1 | BIPHENYL DERIVATIVE HAVING BETA2 RECEPTOR EXCITEMENT AND M RECEPTOR ANTAGONISTIC ACTIVITIES AND APPLICATION THEREFOF IN MEDICAMENT | 四川海思科制药有限公司 | 2016-11-17 | — | — | WO | disclosed |