Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL9910980 | 1.00 | SIGMAR1 (0.48) | SIGMAR1OPRM1CHRM2HTR1AADRA2A | |
| SCHEMBL9963160 | 0.80 | OPRM1 (0.39) | OPRM1CHRM2CHRNB4CHRNA3CHRNB2 | |
| SCHEMBL171335 | 0.80 | CHRNB4 (0.47) | SIGMAR1CHRM2DRD2DRD4CHRNB4 | |
| SCHEMBL11364232 | 0.79 | CHRM2 (0.60) | SIGMAR1CHRM2HTR1AADRA2ADRD2 | |
| SCHEMBL2225619 | 0.78 | F11 (0.46) | OPRM1CHRM2 | |
| SCHEMBL16551115 | 0.77 | HTR6 (0.60) | CHRM2SLC6A2HTR2AHTR2CHTR2B | |
| SCHEMBL11555846 | 0.76 | SIGMAR1 (0.43) | SIGMAR1SLC6A2SLC6A4HRH1HTR6 | |
| SCHEMBL12835650 | 0.76 | SIGMAR1 (0.40) | SIGMAR1CHRM2HTR1AADRA2AADRA2B | |
| SCHEMBL11556920 | 0.76 | SIGMAR1 (0.43) | SIGMAR1SLC6A2SLC6A4HRH1HTR6 | |
| SCHEMBL13836477 | 0.76 | F11 (0.46) | OPRM1CHRM2DRD2DRD3 |
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-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| WO-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |