Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.73 |
| ▸ | DRD2 | P14416 | 2/20 | 0.73 |
| ▸ | HTR2A | P28223 | 2/20 | 0.73 |
| ▸ | HTR6 | P50406 | 1/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27447154 | 0.99 | HTR1A (0.71) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL7956882 | 0.96 | HTR1A (0.68) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL7961173 | 0.90 | HTR1A (0.70) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL9699011 | 0.90 | HTR6 (0.71) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL7532422 | 0.89 | HTR1A (0.65) | HTR1ADRD2 | |
| SCHEMBL8539217 | 0.89 | KCNH2 (0.73) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL8542180 | 0.88 | HTR1A (0.78) | HTR1ADRD2 | |
| SCHEMBL9697675 | 0.88 | HTR1A (0.67) | HTR1ADRD2HTR2AHTR6KCNH2 | |
| SCHEMBL4416131 | 0.85 | HTR1A (0.79) | HTR1A | |
| Hydrochloric Acid SCHEMBL4426960 | 0.85 | HTR1A (0.77) | HTR1A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | claimed |
| EP-0736525-A1 | Benzonitriles and -fluorides as 5-HT agonists and antagonists | MERCK PATENT GmbH (DE) | 1996-10-09 | — | — | EP | claimed |
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| 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 |
| 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 |
| US-5418237-A | Indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-05-23 | — | — | US | disclosed |