Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.30 |
| ▸ | CCNC | P24863 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL15028546 | 0.78 | BRD4 (0.33) | HRH3BRD4CCNCCDK8 | |
| SCHEMBL17616515 | 0.70 | SCN5A (0.47) | HRH3SCN5ABRD4CCNCCDK8 | |
| SCHEMBL16629892 | 0.67 | HTR2C (0.39) | BRD4CCNCCDK8 | |
| SCHEMBL20160365 | 0.66 | SMN1; SMN2 (0.35) | HRH3SCN5ABRD4CCNCCDK8 | |
| SCHEMBL16686865 | 0.66 | PIM1 (0.38) | HRH3BRD4CCNCCDK8 | |
| SCHEMBL12510429 | 0.66 | SCN5A (0.42) | SCN5A | |
| SCHEMBL12510331 | 0.66 | CCNC (0.45) | BRD4CCNCCDK8 | |
| SCHEMBL16619439 | 0.66 | CCNC (0.40) | HRH3SCN5ACCNCCDK8 | |
| SCHEMBL11158794 | 0.66 | SCN5A (0.66) | HRH3SCN5A | |
| SCHEMBL21076151 | 0.64 | CYP1A2 (0.52) | HRH3 |
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-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 |