Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.72 |
| ▸ | HTR1A | P08908 | 1/20 | 0.71 |
| ▸ | DRD2 | P14416 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.70 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.59 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | HTR7 | P34969 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL15961301 | 0.92 | KCNH2 (0.77) | KCNH2HTR1ADRD2MAPTNPSR1 | |
| SCHEMBL7995650 | 0.91 | HTR1A (0.71) | KCNH2HTR1ADRD2MAPTNPSR1 | |
| SCHEMBL11560357 | 0.87 | MAPT (0.67) | KCNH2HTR1ADRD2MAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL3712573 | 0.86 | MAPT (0.75) | KCNH2HTR1ADRD2MAPTNPSR1 | |
| SCHEMBL13711972 | 0.86 | KCNH2 (0.84) | KCNH2DRD2HTR7 | |
| SCHEMBL6509439 | 0.84 | DRD2 (1.00) | KCNH2HTR1ADRD2MAPTNPSR1 | |
| SCHEMBL4523970 | 0.84 | KCNH2 (1.00) | KCNH2SIGMAR1HTR7 | |
| SCHEMBL13501370 | 0.84 | HTR1A (0.73) | HTR1ADRD2MAPTNPSR1SIGMAR1 | |
| SCHEMBL9373313 | 0.82 | SIGMAR1 (1.00) | KCNH2HTR1ADRD2SIGMAR1HTR7 | |
| SCHEMBL4519876 | 0.81 | KCNH2 (1.00) | KCNH2HTR7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6313297-B1 | CATALYTIC ALKYLATION; BY-PRODUCT INHIBITION | AVENTIS RESEARCH & TECHNOLOGIES (DE) | 2001-11-06 | — | — | US | disclosed |
| EP-1047680-A2 | BASE-CATALYZED SYNTHESIS OF 1-ARYL-4-(ARYL ETHYL)PIPERAZINES FROM AROMATIC OLEFINS AND 1-ARYL PIPERAZINES | Aventis Research & Technologies GmbH & Co KG (DE) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999036412-A2 | BASE-CATALYZED SYNTHESIS OF 1-ARYL-4-(ARYL ETHYL)PIPERAZINES FROM AROMATIC OLEFINS AND 1-ARYL PIPERAZINES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 1999-07-22 | — | — | WO | disclosed |