Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 4/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL16629853 | 1.00 | CETP (0.32) | CETPADRB1ADRB3 | |
| SCHEMBL16629854 | 0.94 | P2RX3 (0.31) | CETP | |
| SCHEMBL16630653 | 0.93 | CNR1 (0.33) | CETP | |
| SCHEMBL16630233 | 0.92 | CETP (0.32) | CETP | |
| SCHEMBL16629822 | 0.92 | CETP (0.31) | CETP | |
| SCHEMBL16629911 | 0.92 | CETP (0.33) | CETP | |
| SCHEMBL18017452 | 0.91 | AGTR2 (0.33) | CETP | |
| SCHEMBL17986551 | 0.91 | LIMK2 (0.33) | CETP | |
| SCHEMBL16629818 | 0.91 | GPR119 (0.37) | — | |
| SCHEMBL16629791 | 0.90 | ACACB (0.35) | CETP |
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 |