Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.38 |
| ▸ | HRH1 | P35367 | 12/20 | 0.37 |
| ▸ | HRH2 | P25021 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4606399 | 0.84 | APLNR (0.50) | APLNRHRH3HRH4HRH1HRH2 | |
| Hydrochloric Acid SCHEMBL1396035 | 0.82 | APLNR (0.48) | APLNRHRH3HRH4HRH1HRH2 | |
| SCHEMBL1108482 | 0.76 | APLNR (0.47) | APLNRHRH3 | |
| SCHEMBL1331996 | 0.76 | APLNR (0.47) | APLNR | |
| SCHEMBL15269105 | 0.74 | — | — | |
| SCHEMBL1396182 | 0.74 | APLNR (0.46) | APLNR | |
| SCHEMBL29263696 | 0.73 | HRH1 (0.59) | HRH3HRH4HRH1HRH2MAOA | |
| SCHEMBL6685773 | 0.73 | HRH1 (0.59) | HRH3HRH4HRH1HRH2MAOA | |
| Hydrochloric Acid SCHEMBL21067234 | 0.72 | APLNR (0.42) | APLNR | |
| SCHEMBL22223412 | 0.71 | HRH1 (0.42) | APLNRHRH3HRH4HRH1HRH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1117663-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | disclosed |