Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 18/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16619983 | 1.00 | ADRB3 (0.37) | ADRB3SLC6A2SLC6A4KCNH2ADRB2 | |
| SCHEMBL16620117 | 0.99 | ADRB3 (0.37) | ADRB3SLC6A2SLC6A4KCNH2ADRB2 | |
| SCHEMBL16620118 | 0.99 | ADRB3 (0.37) | ADRB3SLC6A2SLC6A4KCNH2ADRB2 | |
| SCHEMBL18017433 | 0.91 | ADRB3 (0.39) | ADRB3SLC6A2KCNH2ADRB2 | |
| SCHEMBL16619762 | 0.87 | ADRB3 (0.49) | ADRB3SLC6A2SLC6A4KCNH2ADRB2 | |
| SCHEMBL16619758 | 0.87 | ADRB3 (0.49) | ADRB3SLC6A2SLC6A4KCNH2ADRB2 | |
| SCHEMBL16619892 | 0.87 | ADRB3 (0.39) | ADRB3SLC6A2SLC6A4KCNH2ADRB2 | |
| SCHEMBL16619890 | 0.87 | ADRB3 (0.39) | ADRB3SLC6A2SLC6A4KCNH2ADRB2 | |
| SCHEMBL16619862 | 0.87 | ADRB3 (0.47) | ADRB3SLC6A2KCNH2ADRB2 | |
| SCHEMBL16619859 | 0.87 | ADRB3 (0.47) | ADRB3SLC6A2KCNH2ADRB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3052099-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-08-10 | — | — | EP | claimed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | claimed |
| EP-3052099-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |