Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 15/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 SCHEMBL4323836 | 0.97 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CXCR4HTR2A | |
| SCHEMBL3563940 | 0.88 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CXCR4 | |
| SCHEMBL17377316 | 0.87 | HRH3 (0.39) | SLC6A2SLC6A4SLC6A3CXCR4 | |
| Hydrochloric Acid SCHEMBL4315616 | 0.87 | CXCR4 (0.42) | SLC6A2SLC6A4SLC6A3CYP1A2CXCR4 | |
| SCHEMBL28969434 | 0.86 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL947340 | 0.82 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3HTR2A | |
| Hydrochloric Acid SCHEMBL4453175 | 0.82 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3HTR2A | |
| Hydrochloric Acid SCHEMBL10513272 | 0.81 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL715601 | 0.80 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HTR2A | |
| Hydrochloric Acid SCHEMBL4449006 | 0.80 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0306698-B1 | CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION, AND MEDICAMENTS CONTAINING THESE COMPOUNDS | Dr. Karl Thomae GmbH (DE) | 1992-03-25 | — | — | EP | disclosed |
| US-4931436-A | BRADYCARDIAL AGENTS | DR. KARL THOMAE GMBH (DE) | 1990-06-05 | — | — | US | disclosed |
| EP-0306698-A1 | Condensed diazepinones, processes for their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1989-03-15 | — | — | EP | disclosed |