Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5230614 | 0.99 | ACHE (0.51) | ACHEMAPK1HTR2AHTR7HTR1A | |
| SCHEMBL5227450 | 0.89 | HRH3 (0.42) | ACHEMAPK1HTR2AHTR7HTR1A | |
| SCHEMBL5230180 | 0.89 | HTR1A (0.42) | ACHEMAPK1HTR2AHTR7HTR1A | |
| SCHEMBL5229632 | 0.87 | HTR2A (0.40) | ACHEMAPK1HTR2AHTR7HTR1A | |
| SCHEMBL5226913 | 0.85 | HRH3 (0.45) | HTR2AHTR7HTR1AHTR2BHTR3A | |
| SCHEMBL5228031 | 0.80 | MAPK1 (0.40) | MAPK1HTR2AHTR7HTR1AHTR2B | |
| SCHEMBL5907344 | 0.74 | MAPK1 (0.41) | MAPK1HTR2AHTR7HTR1AHTR2B | |
| SCHEMBL5228222 | 0.73 | HRH3 (0.39) | ACHEHTR2AHTR7HTR1AHTR2B | |
| SCHEMBL5232220 | 0.72 | MAPK1 (0.43) | MAPK1HTR2AHTR7HTR1AHTR2B | |
| SCHEMBL16225811 | 0.71 | ACHE (1.00) | ACHEMAPK1HTR2AHTR7HTR1A |
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-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |