Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824231 | 0.94 | CHRM2 (0.34) | CHRM2CYP1A2MEN1CYP3A4CYP2D6 | |
| SCHEMBL9824576 | 0.87 | OPRD1 (0.36) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| SCHEMBL9824819 | 0.85 | S1PR1 (0.38) | CHRM2CYP1A2MEN1CYP3A4CYP2D6 | |
| SCHEMBL9824881 | 0.82 | HRH3 (0.33) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| SCHEMBL9824225 | 0.80 | OPRD1 (0.35) | CYP1A2S1PR1S1PR3S1PR5OPRD1 | |
| SCHEMBL9824423 | 0.78 | S1PR1 (0.38) | CYP1A2S1PR1S1PR3S1PR5OPRD1 | |
| SCHEMBL9824235 | 0.78 | OPRM1 (0.34) | CHRM2CYP1A2MEN1CYP3A4CYP2D6 | |
| SCHEMBL9824391 | 0.78 | S1PR1 (0.38) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 | |
| SCHEMBL5009345 | 0.78 | MAPK1 (0.41) | CHRM2CYP1A2MEN1CYP3A4CYP2D6 | |
| SCHEMBL9824106 | 0.77 | S1PR1 (0.37) | CHRM2CYP1A2CYP3A4CHRM4CHRM1 |
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 |