Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 2/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 3/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9932786 | 1.00 | ADRB3 (0.35) | ADRB3ADRB1GPR119CYP3A4CYP3A5 | |
| SCHEMBL18017422 | 1.00 | ADRB3 (0.35) | ADRB3ADRB1GPR119CYP3A4CYP3A5 | |
| SCHEMBL18210821 | 1.00 | ADRB3 (0.35) | ADRB3ADRB1GPR119CYP3A4CYP3A5 | |
| SCHEMBL9932785 | 1.00 | ADRB3 (0.35) | ADRB3ADRB1GPR119CYP3A4CYP3A5 | |
| SCHEMBL18210791 | 0.92 | HDAC1 (0.38) | GPR119CYP3A4CYP3A5NAMPTP2RX7 | |
| SCHEMBL17986557 | 0.92 | HDAC1 (0.38) | GPR119CYP3A4CYP3A5NAMPTP2RX7 | |
| SCHEMBL16629708 | 0.92 | HDAC1 (0.38) | GPR119CYP3A4CYP3A5NAMPTP2RX7 | |
| SCHEMBL16619092 | 0.92 | HDAC1 (0.38) | GPR119CYP3A4CYP3A5NAMPTP2RX7 | |
| SCHEMBL18210810 | 0.92 | KDM4E (0.35) | GPR119HDAC1HDAC6 | |
| SCHEMBL18210805 | 0.92 | KDM4E (0.35) | GPR119HDAC1HDAC6 |
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 |