Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 2/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | KLK7 | P49862 | 2/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1509714 | 1.00 | CETP (0.37) | CETPADRB3ADRB2KCNH2KDM4E | |
| SCHEMBL9933316 | 1.00 | CETP (0.37) | CETPADRB3ADRB2KCNH2KDM4E | |
| SCHEMBL1509715 | 1.00 | CETP (0.37) | CETPADRB3ADRB2KCNH2KDM4E | |
| SCHEMBL21278608 | 0.90 | KDM4E (0.40) | CETPADRB3ADRB2KCNH2KDM4E | |
| SCHEMBL909100 | 0.90 | CETP (0.37) | CETPKDM4EPKMNR1H2NR1H3 | |
| SCHEMBL18017373 | 0.90 | GAA (0.40) | CETPADRB3KDM4EPKMNR1H2 | |
| SCHEMBL18017416 | 0.90 | GAA (0.40) | CETPADRB3KDM4EPKMNR1H2 | |
| SCHEMBL908049 | 0.90 | CETP (0.37) | CETPKDM4EPKMNR1H2NR1H3 | |
| SCHEMBL1198624 | 0.90 | CETP (0.37) | CETPKDM4EPKMNR1H2NR1H3 | |
| SCHEMBL16620129 | 0.90 | PDE5A (0.38) | CETPNR1H2NR1H3GPR119PDE4A |
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 |