Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 12/20 | 0.48 |
| ▸ | HTR7 | P34969 | 3/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440204 | 0.89 | MCHR1 (0.39) | MCHR1HTR7HTR6CHRM1HTR2A | |
| SCHEMBL14767425 | 0.89 | HTR7 (0.43) | MCHR1HTR7HTR6MET | |
| SCHEMBL12440514 | 0.87 | HTR7 (0.39) | MCHR1HTR7HTR6MET | |
| SCHEMBL12441448 | 0.85 | HRH3 (0.44) | MCHR1HTR7HTR2AMET | |
| SCHEMBL13933553 | 0.82 | MCHR1 (0.65) | MCHR1 | |
| SCHEMBL12440000 | 0.82 | MCHR1 (0.46) | MCHR1CYP2D6CHRM1HTR2ACNR2 | |
| SCHEMBL2319646 | 0.81 | MCHR1 (0.62) | MCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL23927826 | 0.79 | HTR7 (0.63) | HTR7HTR6HTR2A | |
| SCHEMBL12440655 | 0.78 | NPY5R (0.37) | — | |
| SCHEMBL12441321 | 0.78 | SCN9A (0.39) | HTR6 |
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-2357173-A1 | New alkyne compounds with MCH-antagonistic activity and medicaments containing them | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-08-17 | — | — | EP | disclosed |