Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8660364 | 1.00 | CYP3A4 (0.31) | CYP3A4CYP2D6CYP2C9CYP2C19OPRM1 | |
| SCHEMBL8660331 | 0.76 | OPRM1 (0.34) | OPRM1SLC22A1SLC6A4ADRA1AOPRD1 | |
| SCHEMBL8660329 | 0.76 | OPRM1 (0.34) | OPRM1SLC22A1SLC6A4ADRA1AOPRD1 | |
| SCHEMBL8660295 | 0.71 | OPRM1 (0.33) | OPRM1SLC22A1SLC6A4ADRA1AOPRD1 | |
| SCHEMBL1268064 | 0.69 | POLB (0.38) | OPRM1SLC22A1SLC6A4ADRA1AOPRD1 | |
| SCHEMBL26698693 | 0.66 | VDR (0.35) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL25639830 | 0.65 | CYP3A4 (0.31) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL28352903 | 0.64 | HTT (0.33) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL5786606 | 0.63 | POLB (0.33) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL12222686 | 0.63 | MAPK1 (0.33) | CYP3A4CYP2D6CYP2C9CYP2C19OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5756508-A | Muscarine antagonists | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| WO-1997016192-A1 | MUSCARINE ANTAGONISTS | MERCK & CO., INC. (US) | 1997-05-09 | — | — | WO | disclosed |