Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL30598330 | 0.96 | CXCR4 (0.47) | HRH3ALDH1A1CXCR4MAOBPOLB | |
| SCHEMBL25996984 | 0.96 | CXCR4 (0.47) | HRH3ALDH1A1CXCR4MAOBPOLB | |
| SCHEMBL509989 | 0.96 | CXCR4 (0.47) | HRH3ALDH1A1CXCR4MAOBPOLB | |
| Ammonia Solution, Strong SCHEMBL1492447 | 0.94 | CXCR4 (0.46) | HRH3ALDH1A1CXCR4MAOBPOLB | |
| Water SCHEMBL28199628 | 0.94 | CXCR4 (0.46) | HRH3ALDH1A1CXCR4MAOB | |
| SCHEMBL25014448 | 0.94 | CXCR4 (0.46) | HRH3ALDH1A1CXCR4MAOBPOLB | |
| Fluoride SCHEMBL30330803 | 0.94 | CXCR4 (0.46) | HRH3ALDH1A1CXCR4MAOBPOLB | |
| Cyanide SCHEMBL30330684 | 0.90 | CXCR4 (0.44) | HRH3ALDH1A1CXCR4MAOB | |
| SCHEMBL15473898 | 0.89 | — | — | |
| SCHEMBL304943 | 0.89 | — | — |
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-0068806-A2 | Basic acyl amides of (5-amino-1,3-dialkylpyrazol-4-yl)(aryl)methanones, processes for their production, and pharmaceutical compositions containing such compounds | WARNER-LAMBERT COMPANY (US) | 1983-01-05 | — | — | EP | disclosed |