Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30338318 | 0.95 | MEN1 (0.47) | HSD11B1AKR1C1MEN1KMT2ANPSR1 | |
| SCHEMBL6185828 | 0.87 | HSD11B1 (0.40) | HSD11B1AKR1C1MEN1KMT2AEPHX2 | |
| SCHEMBL22289862 | 0.87 | EPHX2 (0.43) | HSD11B1MEN1KMT2AEPHX2ALDH1A1 | |
| SCHEMBL29418095 | 0.87 | EPHX2 (0.43) | HSD11B1MEN1KMT2AEPHX2ALDH1A1 | |
| SCHEMBL19459187 | 0.85 | HSD11B1 (0.45) | HSD11B1KMT2AEPHX2ALDH1A1 | |
| SCHEMBL19462895 | 0.85 | HSD11B1 (0.45) | HSD11B1KMT2AEPHX2ALDH1A1 | |
| SCHEMBL27663775 | 0.85 | OPRM1 (0.50) | MEN1KMT2ANPSR1OPRM1 | |
| SCHEMBL16004573 | 0.84 | NR1H2 (0.53) | TSHR | |
| SCHEMBL28815574 | 0.84 | NR1H2 (0.53) | TSHR | |
| SCHEMBL18642718 | 0.84 | NR1H2 (0.53) | TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2485595-A1 | COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT | Merck Sharp & Dohme Corp. (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011043942-A1 | COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | disclosed |
| EP-2276756-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009124166-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |
| WO-2009124167-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |