Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.69 |
| ▸ | HTR2A | P28223 | 1/20 | 0.69 |
| ▸ | LTA4H | P09960 | 3/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.64 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL14039753 | 1.00 | MCHR1 (0.78) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL12440472 | 0.99 | MCHR1 (0.77) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL12440372 | 0.97 | MCHR1 (0.74) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL12440309 | 0.92 | MCHR1 (0.76) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL12440423 | 0.91 | MCHR1 (0.78) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL13933577 | 0.90 | MCHR1 (0.71) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL12440511 | 0.89 | HRH3 (0.73) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL12440469 | 0.88 | MCHR1 (0.78) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL2323310 | 0.88 | MCHR1 (1.00) | MCHR1CYP2D6CHRM1HTR2ALTA4H | |
| SCHEMBL12440115 | 0.88 | LTA4H (0.74) | MCHR1CYP2D6CHRM1HTR2ALTA4H |
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 |