Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2904631 | 0.91 | MCHR1 (0.40) | MCHR1PIK3R1PIK3CAHRH3HTR2A | |
| SCHEMBL2902344 | 0.89 | CCR5 (0.36) | CHRM1SLC6A2MCHR1HRH3 | |
| SCHEMBL2908495 | 0.87 | MCHR1 (0.35) | MCHR1 | |
| SCHEMBL2902356 | 0.78 | MEN1 (0.41) | PIK3R1PIK3CAMAPK14GSK3BMAPK11 | |
| SCHEMBL2902618 | 0.77 | MCHR1 (0.38) | CHRM1SLC6A2SLC6A4MCHR1HRH3 | |
| SCHEMBL2901803 | 0.77 | PIK3R1 (0.35) | PIK3R1PIK3CA | |
| SCHEMBL2904863 | 0.75 | CCR5 (0.34) | CHRM1SLC6A2SLC6A4MCHR1HRH3 | |
| SCHEMBL2909335 | 0.73 | HRH3 (0.43) | CHRM1SLC6A2SLC6A4PIK3R1PIK3CA | |
| SCHEMBL2907737 | 0.73 | LMNA (0.33) | PIK3R1PIK3CAMAPK14GSK3B | |
| SCHEMBL2904844 | 0.71 | OPRD1 (0.40) | SLC6A2SLC6A4PIK3R1PIK3CA |
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-1611107-B1 | 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS | MERCK PATENT GMBH (DE) | 2010-08-18 | — | — | EP | claimed |