Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | NPY1R | P25929 | 3/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5488178 | 0.98 | HRH3 (0.45) | NAAACXCR4HRH3NPY1RGNAO1 | |
| SCHEMBL9674013 | 0.95 | CXCR4 (0.49) | NAAACXCR4HRH3NPY1RGNAO1 | |
| SCHEMBL9676455 | 0.93 | CXCR4 (0.48) | NAAACXCR4HRH3NPY1RHRH4 | |
| SCHEMBL9673755 | 0.93 | CXCR4 (0.48) | NAAACXCR4HRH3NPY1RHRH4 | |
| SCHEMBL4157945 | 0.91 | GNAO1 (0.47) | NAAACXCR4HRH3GNAO1 | |
| SCHEMBL3816667 | 0.87 | SLC6A2 (0.42) | NAAACXCR4HRH3NPY1RHRH4 | |
| SCHEMBL9673816 | 0.86 | CYP1A2 (0.42) | NAAACXCR4HRH3NPY1RHRH4 | |
| SCHEMBL9676384 | 0.86 | CYP1A2 (0.42) | NAAACXCR4HRH3NPY1RHRH4 | |
| SCHEMBL7403030 | 0.84 | GNAO1 (0.46) | NAAACXCR4HRH3NPY1RGNAO1 | |
| SCHEMBL4378119 | 0.82 | CXCR4 (0.41) | NAAACXCR4HRH3NPY1RGNAO1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0345629-B1 | CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1992-09-16 | — | — | EP | disclosed |
| 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-0345629-A2 | Condensed diazepinones, process for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1989-12-13 | — | — | EP | 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 |