Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11786076 | 0.69 | — | — | |
| SCHEMBL3078435 | 0.69 | — | — | |
| SCHEMBL8511721 | 0.69 | — | — | |
| SCHEMBL18780185 | 0.67 | CHRNB2 (0.41) | CHRNB2CHRNA4ALDH1A1ACHE | |
| SCHEMBL3074062 | 0.67 | — | — | |
| SCHEMBL22556956 | 0.66 | CA14 (0.37) | CHRNB2CHRNA4 | |
| SCHEMBL22556958 | 0.66 | CA14 (0.37) | CHRNB2CHRNA4 | |
| SCHEMBL21278166 | 0.64 | — | — | |
| SCHEMBL101667 | 0.63 | — | — | |
| SCHEMBL11145930 | 0.63 | — | — |
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-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2019-08-21 | — | — | EP | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |