Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 3/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16629753 | 1.00 | PDE5A (0.38) | PDE5AGPR119CETPNR4A2NR1H2 | |
| SCHEMBL9933316 | 0.90 | CETP (0.37) | GPR119CETPNR1H2NR1H3PDE4A | |
| SCHEMBL16619212 | 0.90 | CETP (0.37) | GPR119CETPNR1H2NR1H3PDE4A | |
| SCHEMBL1509715 | 0.90 | CETP (0.37) | GPR119CETPNR1H2NR1H3PDE4A | |
| SCHEMBL1509714 | 0.90 | CETP (0.37) | GPR119CETPNR1H2NR1H3PDE4A | |
| SCHEMBL31012170 | 0.89 | CETP (0.41) | GPR119CETPCCR3TP53 | |
| SCHEMBL30360885 | 0.89 | CETP (0.41) | GPR119CETPCCR3TP53 | |
| SCHEMBL31012164 | 0.89 | CETP (0.41) | GPR119CETPCCR3TP53 | |
| SCHEMBL31012165 | 0.89 | CETP (0.41) | GPR119CETPCCR3TP53 | |
| SCHEMBL30360954 | 0.89 | CETP (0.41) | GPR119CETPCCR3TP53 |
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 |