Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 10/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 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 | |
|---|---|---|---|---|
| SCHEMBL16619741 | 1.00 | ADORA2B (0.33) | ADORA2BADORA2ATLR7CETPSMN1; SMN2 | |
| SCHEMBL21268137 | 1.00 | ADORA2B (0.33) | ADORA2BADORA2ATLR7CETPSMN1; SMN2 | |
| SCHEMBL16619666 | 0.90 | PTGER4 (0.37) | CETPSMN1; SMN2PTGER4 | |
| SCHEMBL16619668 | 0.90 | PTGER4 (0.37) | CETPSMN1; SMN2PTGER4 | |
| SCHEMBL1155467 | 0.89 | ALDH1A1 (0.33) | ADORA2BADORA2ATLR7ADORA1 | |
| SCHEMBL16619101 | 0.87 | ADRB3 (0.35) | CYP3A4CYP3A5GPR119 | |
| SCHEMBL9932785 | 0.87 | ADRB3 (0.35) | CYP3A4CYP3A5GPR119 | |
| SCHEMBL18017422 | 0.87 | ADRB3 (0.35) | CYP3A4CYP3A5GPR119 | |
| SCHEMBL9932786 | 0.87 | ADRB3 (0.35) | CYP3A4CYP3A5GPR119 | |
| SCHEMBL18210821 | 0.87 | ADRB3 (0.35) | CYP3A4CYP3A5GPR119 |
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 |