Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL3193207 | 0.82 | GBA1 (0.50) | GBA1CHRNB2CHRNA4MCHR1KDM4E | |
| SCHEMBL14174792 | 0.79 | CHRNB2 (0.42) | CHRNB2CHRNA4 | |
| SCHEMBL12089150 | 0.76 | GBA1 (0.44) | GBA1MCHR1KDM4EALDH1A1NPC1 | |
| SCHEMBL684128 | 0.76 | — | — | |
| SCHEMBL19739531 | 0.74 | ALDH1A1 (0.44) | GBA1MCHR1KDM4EALDH1A1NPC1 | |
| SCHEMBL1433090 | 0.73 | GBA1 (0.69) | GBA1KDM4EALDH1A1NPC1MAPK1 | |
| SCHEMBL3231706 | 0.72 | GBA1 (0.52) | GBA1KDM4EALDH1A1NPC1MAPK1 | |
| SCHEMBL31729646 | 0.72 | GBA1 (0.52) | GBA1KDM4EALDH1A1NPC1MAPK1 | |
| SCHEMBL1241260 | 0.72 | TAAR1 (0.52) | GBA1MCHR1GRM2 | |
| SCHEMBL15828794 | 0.71 | GBA1 (0.56) | GBA1CHRNB2CHRNA4KDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2470012-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-11-05 | — | — | EP | disclosed |