Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 11/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | AVPR1B | P47901 | 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 | |
|---|---|---|---|---|
| SCHEMBL12440265 | 0.87 | MCHR1 (0.55) | MCHR1CYP2D6CHRM1HTR2AHRH3 | |
| SCHEMBL12439922 | 0.86 | MEN1 (0.51) | MCHR1CYP2D6CHRM1HTR2AMEN1 | |
| SCHEMBL4529403 | 0.84 | MCHR1 (0.62) | MCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL12440363 | 0.78 | MCHR1 (0.57) | MCHR1CYP2D6CHRM1HTR2AHRH3 | |
| SCHEMBL12441419 | 0.78 | MCHR1 (0.50) | MCHR1CYP2D6CHRM1HTR2A | |
| SCHEMBL12439925 | 0.78 | SMN1; SMN2 (0.56) | MCHR1CYP2D6CHRM1HTR2AHRH3 | |
| SCHEMBL12441626 | 0.77 | MCHR1 (0.53) | MCHR1CYP2D6CHRM1HTR2AMEN1 | |
| SCHEMBL14039753 | 0.76 | MCHR1 (0.78) | MCHR1CYP2D6CHRM1HTR2AHRH3 | |
| SCHEMBL12440251 | 0.76 | MCHR1 (0.78) | MCHR1CYP2D6CHRM1HTR2AHRH3 | |
| SCHEMBL12441462 | 0.75 | MCHR1 (0.59) | MCHR1CYP2D6CHRM1HTR2AHRH3 |
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 2 patents. 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 |
| US-7452911-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2008-11-18 | — | — | US | disclosed |