Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 11/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.54 |
| ▸ | HTR2A | P28223 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | HRH2 | P25021 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12441547 | 0.94 | MCHR1 (0.57) | MCHR1CHRM1HTR2ACYP2D6HRH3 | |
| SCHEMBL12440251 | 0.86 | MCHR1 (0.78) | MCHR1CHRM1HTR2ACYP2D6HRH3 | |
| SCHEMBL14039753 | 0.86 | MCHR1 (0.78) | MCHR1CHRM1HTR2ACYP2D6HRH3 | |
| SCHEMBL12440372 | 0.86 | MCHR1 (0.74) | MCHR1CHRM1HTR2ACYP2D6HRH3 | |
| SCHEMBL12440472 | 0.85 | MCHR1 (0.77) | MCHR1CHRM1HTR2ACYP2D6HRH3 | |
| SCHEMBL4527666 | 0.85 | MCHR1 (0.78) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL4527655 | 0.85 | MCHR1 (0.78) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL13933578 | 0.84 | MCHR1 (0.57) | MCHR1CHRM1HTR2ACYP2D6HRH3 | |
| SCHEMBL12441099 | 0.81 | MCHR1 (0.72) | MCHR1CHRM1HTR2ACYP2D6HRH3 | |
| SCHEMBL12440511 | 0.81 | HRH3 (0.73) | MCHR1CHRM1HTR2ACYP2D6HRH3 |
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 |