Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.70 |
| ▸ | DRD2 | P14416 | 2/20 | 0.70 |
| ▸ | HTR2A | P28223 | 2/20 | 0.70 |
| ▸ | HTR6 | P50406 | 1/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL7530336 | 0.90 | HTR1A (0.73) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL9698246 | 0.90 | SLC6A4 (0.73) | HTR1ADRD2HTR2A | |
| Hydrochloric Acid SCHEMBL27447154 | 0.89 | HTR1A (0.71) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL9699011 | 0.89 | HTR6 (0.71) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL9697675 | 0.88 | HTR1A (0.67) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL8539217 | 0.87 | KCNH2 (0.73) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL7956882 | 0.87 | HTR1A (0.68) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL8542180 | 0.86 | HTR1A (0.78) | HTR1ADRD2 | |
| SCHEMBL9253345 | 0.86 | HTR1A (0.59) | HTR1A | |
| SCHEMBL7530566 | 0.84 | HTR1A (0.76) | HTR1ADRD2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1072209-C | Benzonitriles and benzofluorides | MERCK PATENT GMBH (DE) | 2001-10-03 | — | — | CN | claimed |
| EP-0736525-A1 | Benzonitriles and -fluorides as 5-HT agonists and antagonists | MERCK PATENT GmbH (DE) | 1996-10-09 | — | — | EP | claimed |
| US-6310068-B1 | 3-(4-(4-(4-CYANOPHENYL)-1-PIPERAZINYL)BUTYL)-5-CYANOINDOLE; 3-(4-(4-(4-FLUOROPHENYL)-1-PIPERAZINYL)BUTYL)-5-CYANOINDOLE, BOTH IN FORM OF HYDROCHLORIDE SALT; TREATING DEPRESSION, PARKINSON'S DISEASE, ISCHEMIA | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2001-10-30 | — | — | US | disclosed |
| CN-1072209-C | Benzonitriles and benzofluorides | MERCK PATENT GMBH (DE) | 2001-10-03 | — | — | CN | disclosed |
| EP-0496222-B1 | Indole derivatives | MERCK PATENT GMBH (DE) | 1998-09-09 | — | — | EP | disclosed |
| EP-0736525-A1 | Benzonitriles and -fluorides as 5-HT agonists and antagonists | MERCK PATENT GmbH (DE) | 1996-10-09 | — | — | EP | disclosed |
| EP-0496222-A1 | Indole derivatives | MERCK PATENT GmbH (DE) | 1992-07-29 | — | — | EP | disclosed |