Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 16/20 | 0.79 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.69 |
| ▸ | HTR2A | P28223 | 2/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | LTA4H | P09960 | 3/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2321155 | 0.88 | MCHR1 (1.00) | MCHR1CHRM1HTR2ACYP2D6LTA4H | |
| SCHEMBL2326462 | 0.81 | MCHR1 (0.80) | MCHR1CHRM1HTR2ACYP2D6LTA4H | |
| SCHEMBL2324831 | 0.81 | MCHR1 (1.00) | MCHR1CHRM1HTR2ACYP2D6LTA4H | |
| SCHEMBL2319659 | 0.81 | MCHR1 (1.00) | MCHR1CHRM1HTR2ACYP2D6LTA4H | |
| SCHEMBL2326502 | 0.81 | MCHR1 (1.00) | MCHR1CHRM1HTR2ACYP2D6LTA4H | |
| SCHEMBL2319087 | 0.81 | MCHR1 (0.98) | MCHR1CHRM1HTR2ACYP2D6LTA4H | |
| SCHEMBL2321590 | 0.79 | MCHR1 (0.96) | MCHR1CHRM1HTR2ACYP2D6 | |
| SCHEMBL2319819 | 0.79 | MCHR1 (0.75) | MCHR1CHRM1HTR2ACYP2D6HRH3 | |
| SCHEMBL2323902 | 0.79 | MCHR1 (0.75) | MCHR1CHRM1HTR2ACYP2D6LTA4H | |
| SCHEMBL56495 | 0.77 | LTA4H (0.90) | LTA4HPTGS1PTGS2HRH3 |
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-1558578-B1 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-03-13 | — | — | EP | disclosed |