Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 5/20 | 0.61 |
| ▸ | LTA4H | P09960 | 5/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL12440469 | 0.86 | MCHR1 (0.78) | MCHR1LTA4HPTGS2ACHECYP2D6 | |
| SCHEMBL13920751 | 0.86 | MCHR1 (0.72) | MCHR1LTA4HPTGS2ACHECYP2D6 | |
| SCHEMBL12440457 | 0.82 | MCHR1 (0.59) | MCHR1LTA4HPTGS2ACHECYP2D6 | |
| SCHEMBL30226262 | 0.77 | MCHR1 (0.50) | MCHR1LTA4HPTGS2HTR2A | |
| SCHEMBL12440423 | 0.76 | MCHR1 (0.78) | MCHR1LTA4HPTGS2ACHECYP2D6 | |
| SCHEMBL2326926 | 0.76 | MCHR1 (1.00) | MCHR1LTA4HPTGS2CYP2D6CHRM1 | |
| SCHEMBL14039753 | 0.76 | MCHR1 (0.78) | MCHR1LTA4HPTGS2ACHECYP2D6 | |
| SCHEMBL12440251 | 0.76 | MCHR1 (0.78) | MCHR1LTA4HPTGS2ACHECYP2D6 | |
| SCHEMBL12440472 | 0.75 | MCHR1 (0.77) | MCHR1LTA4HPTGS2ACHECYP2D6 | |
| SCHEMBL7819691 | 0.74 | LTA4H (0.90) | LTA4HPTGS2HRH3 |
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 |