Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.45 |
| ▸ | DRD3 | P35462 | 3/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL7458156 | 0.89 | CHRM2 (0.47) | ADRA2ADRD3CHRM2CHRM1DRD1 | |
| SCHEMBL7455239 | 0.87 | CHRM2 (0.46) | ADRA2ADRD3CHRM2CHRM1DRD1 | |
| SCHEMBL873248 | 0.87 | CHRM2 (0.46) | ADRA2ADRD3CHRM2CHRM1DRD1 | |
| SCHEMBL3130007 | 0.80 | HRH1 (0.50) | ADRA2ADRD3CHRM2CHRM1DRD1 | |
| SCHEMBL5011303 | 0.80 | KCNH2 (0.44) | ADRA2ADRD3CHRM2CHRM1DRD1 | |
| SCHEMBL29117311 | 0.80 | HRH1 (0.50) | ADRA2ADRD3CHRM2CHRM1DRD1 | |
| SCHEMBL18469978 | 0.79 | CHRM1 (0.73) | ADRA2ADRD3CHRM2CHRM1DRD1 | |
| Hydrochloric Acid SCHEMBL18428982 | 0.79 | HRH1 (0.49) | ADRA2ADRD3CHRM2CHRM1DRD1 | |
| SCHEMBL12093070 | 0.76 | DRD3 (0.46) | ADRA2ADRD3CHRM2CHRM1DRD1 | |
| SCHEMBL17704575 | 0.74 | DRD2 (0.73) | ADRA2ADRD3CHRM2CHRM1DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005019222-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |