Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 14/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440019 | 0.89 | MCHR1 (0.55) | MCHR1CYP2D6CHRM1HTR2AACHE | |
| SCHEMBL12440496 | 0.89 | MCHR1 (0.55) | MCHR1CYP2D6CHRM1HTR2AACHE | |
| SCHEMBL14767437 | 0.89 | MCHR1 (0.43) | MCHR1HTR2A | |
| SCHEMBL12440267 | 0.87 | MCHR1 (0.67) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL14767412 | 0.87 | MCHR1 (0.52) | MCHR1CYP2D6CHRM1HTR2AACHE | |
| SCHEMBL12441118 | 0.85 | MCHR1 (0.57) | MCHR1CYP2D6CHRM1HTR2AACHE | |
| SCHEMBL12440480 | 0.85 | MCHR1 (0.57) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL12440368 | 0.85 | MCHR1 (0.57) | MCHR1CYP2D6CHRM1HTR2AACHE | |
| SCHEMBL12440363 | 0.85 | MCHR1 (0.57) | MCHR1CYP2D6CHRM1HTR2AHRH3 | |
| SCHEMBL12441119 | 0.84 | MCHR1 (0.58) | MCHR1CYP2D6CHRM1HTR2AHRH3 |
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 |