Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824857 | 0.88 | SIGMAR1 (0.46) | SIGMAR1CYP1A2HRH3CHRM5ADRA2C | |
| SCHEMBL9824397 | 0.86 | CHRM5 (0.45) | SIGMAR1CYP1A2HRH3CHRM5ADRA2C | |
| SCHEMBL9824102 | 0.86 | CHRM5 (0.45) | SIGMAR1CYP1A2HRH3CHRM5ADRA2C | |
| SCHEMBL4714209 | 0.83 | SIGMAR1 (0.49) | SIGMAR1CYP1A2HRH3CHRM5ADRA2C | |
| SCHEMBL18878815 | 0.79 | SIGMAR1 (0.42) | SIGMAR1CYP1A2HRH3GAA | |
| SCHEMBL9824023 | 0.76 | SIGMAR1 (0.35) | SMN1; SMN2SIGMAR1CYP1A2HRH3TP53 | |
| SCHEMBL13634807 | 0.76 | CYP1A2 (0.50) | CYP1A2TP53CHRM5ADRA2C | |
| SCHEMBL18875532 | 0.75 | ALDH1A1 (0.41) | SIGMAR1HRH3GAA | |
| SCHEMBL10706159 | 0.73 | S1PR1 (0.39) | CYP1A2 | |
| SCHEMBL5009345 | 0.72 | MAPK1 (0.41) | SMN1; SMN2CYP1A2 |
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 |