Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 5/20 | 0.39 |
| ▸ | DRD4 | P21917 | 5/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440536 | 0.82 | KDM4E (0.55) | LSSMCHR1HTR2ACHRM1HRH3 | |
| SCHEMBL4526957 | 0.81 | MCHR1 (0.50) | LSSMCHR1HTR2ACHRM1KDM1A | |
| SCHEMBL12441452 | 0.81 | KDM4E (0.58) | LSSMCHR1HTR2ACHRM1HRH3 | |
| SCHEMBL3810502 | 0.80 | GAA (0.54) | DRD4GAAKDM1ABCHEACHE | |
| SCHEMBL4427076 | 0.80 | GAA (0.54) | DRD4GAAKDM1ABCHEACHE | |
| SCHEMBL3810424 | 0.80 | GAA (0.54) | DRD4GAAKDM1ABCHEACHE | |
| SCHEMBL12440426 | 0.79 | HRH3 (0.57) | LSSMCHR1HRH3ACHESLC2A1 | |
| Hydrochloric Acid SCHEMBL4432892 | 0.78 | GAA (0.52) | DRD4GAAKDM1ABCHEACHE | |
| Hydrochloric Acid SCHEMBL4427412 | 0.78 | GAA (0.52) | DRD4GAAKDM1ABCHEACHE | |
| Hydrochloric Acid SCHEMBL4425500 | 0.78 | GAA (0.52) | DRD4GAAKDM1ABCHEACHE |
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 |