Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 10/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12441159 | 0.88 | PDK1 (0.45) | PDK1PDK2PDK3PDK4MCHR1 | |
| SCHEMBL12440634 | 0.86 | CYP11B1 (0.38) | PDK1PDK2PDK3PDK4MCHR1 | |
| SCHEMBL4503035 | 0.83 | MCHR1 (0.55) | MCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL14767415 | 0.79 | PDK1 (0.51) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL12440001 | 0.78 | MCHR1 (0.44) | MCHR1CYP2D6CHRM1HTR2AHRH3 | |
| SCHEMBL12440206 | 0.77 | MCHR1 (0.37) | FFAR4MCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL12441153 | 0.73 | MCHR1 (0.45) | PDK1PDK2PDK3PDK4MCHR1 | |
| SCHEMBL4519018 | 0.72 | MCHR1 (0.49) | MCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL12440750 | 0.71 | HRH3 (0.43) | MCHR1CHRM1HTR2AHTR2CKCNH2 | |
| SCHEMBL2326974 | 0.71 | MCHR1 (0.49) | MCHR1CYP2D6CHRM1HTR2A |
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 |