Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 8/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 4/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL17986544 | 1.00 | GPR119 (0.39) | GPR119LIMK2PDK1NSD2CETP | |
| SCHEMBL17986542 | 1.00 | GPR119 (0.39) | GPR119LIMK2PDK1NSD2CETP | |
| SCHEMBL17986551 | 0.91 | LIMK2 (0.33) | GPR119LIMK2CETPSLC2A1 | |
| SCHEMBL16629818 | 0.91 | GPR119 (0.37) | GPR119NSD2 | |
| SCHEMBL16619381 | 0.90 | CETP (0.36) | GPR119LIMK2CETPSLC2A1 | |
| SCHEMBL18017460 | 0.90 | CETP (0.34) | GPR119LIMK2CETP | |
| SCHEMBL16629857 | 0.90 | CETP (0.36) | GPR119LIMK2CETPSLC2A1 | |
| SCHEMBL17986536 | 0.90 | CETP (0.35) | GPR119LIMK2CETPSLC2A1 | |
| SCHEMBL16629855 | 0.89 | GPR119 (0.42) | GPR119LIMK2PDK1NSD2CETP | |
| SCHEMBL16630680 | 0.89 | CETP (0.34) | GPR119LIMK2CETPSLC2A1 |
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 |