Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824397 | 1.00 | CHRM5 (0.45) | CHRM5ADRA2CSIGMAR1CYP1A2HRH3 | |
| SCHEMBL9824857 | 0.98 | SIGMAR1 (0.46) | CHRM5ADRA2CSIGMAR1CYP1A2HRH3 | |
| SCHEMBL9824908 | 0.86 | KEAP1 (0.42) | CHRM5ADRA2CSIGMAR1CYP1A2HRH3 | |
| SCHEMBL9824814 | 0.80 | CYP1A2 (0.45) | SIGMAR1CYP1A2HRH3 | |
| SCHEMBL13520205 | 0.79 | SIGMAR1 (0.46) | CHRM5ADRA2CSIGMAR1CYP1A2HRH3 | |
| SCHEMBL10706159 | 0.79 | S1PR1 (0.39) | CYP1A2ALOX15 | |
| SCHEMBL5009345 | 0.77 | MAPK1 (0.41) | CYP1A2ALOX15 | |
| SCHEMBL17570423 | 0.77 | CHRM5 (0.65) | CHRM5ADRA2CSIGMAR1CYP1A2HRH3 | |
| SCHEMBL8443502 | 0.77 | CHRM5 (0.48) | CHRM5ADRA2CSIGMAR1CYP1A2HRH3 | |
| SCHEMBL3897698 | 0.77 | SPHK2 (0.41) | HRH3 |
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-0273239-B1 | CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |
| US-4873236-A | BRADYCARDIAL AGENTS | DR. KARL THOMAE GMBH (DE) | 1989-10-10 | — | — | US | disclosed |
| EP-0273239-A1 | Condensed diazepinones, processes for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |