Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 3/20 | 0.42 |
| ▸ | NOS1 | P29475 | 3/20 | 0.42 |
| ▸ | NOS2 | P35228 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440368 | 0.91 | MCHR1 (0.57) | MCHR1LTA4HPTGS2HRH3CYP2D6 | |
| SCHEMBL12440267 | 0.79 | MCHR1 (0.67) | MCHR1LTA4HPTGS2CYP2D6CHRM1 | |
| SCHEMBL12440363 | 0.77 | MCHR1 (0.57) | MCHR1SMN1; SMN2HRH3CYP2D6CHRM1 | |
| SCHEMBL14767414 | 0.77 | MCHR1 (0.56) | MCHR1LTA4HHRH3 | |
| SCHEMBL12440480 | 0.77 | MCHR1 (0.57) | MCHR1LTA4HPTGS2SMN1; SMN2CYP2D6 | |
| SCHEMBL12441118 | 0.77 | MCHR1 (0.57) | MCHR1LTA4HPTGS2HRH3CYP2D6 | |
| SCHEMBL14767433 | 0.77 | SMN1; SMN2 (0.51) | MCHR1LTA4HSMN1; SMN2HRH3KDM4E | |
| SCHEMBL2804631 | 0.77 | LTA4H (0.54) | LTA4HPTGS1PTGS2SMN1; SMN2CYP2D6 | |
| SCHEMBL12441119 | 0.76 | MCHR1 (0.58) | MCHR1HRH3CYP2D6CHRM1HTR2A | |
| SCHEMBL12439925 | 0.76 | SMN1; SMN2 (0.56) | MCHR1SMN1; SMN2HRH3CYP2D6CHRM1 |
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 |