Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9678516 | 0.86 | CYP1A2 (0.43) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824048 | 0.85 | S1PR1 (0.36) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824701 | 0.84 | OPRK1 (0.40) | CHRM2CHRM4CHRM1CHRM3OPRD1 | |
| SCHEMBL9824284 | 0.83 | S1PR1 (0.40) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824251 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL5014206 | 0.82 | KMT2A (0.48) | MAPK1MEN1KMT2A | |
| SCHEMBL28214802 | 0.78 | CYP1A2 (0.36) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL6191432 | 0.77 | ALDH1A1 (0.46) | MEN1KMT2AHRH3 | |
| SCHEMBL9824576 | 0.76 | OPRD1 (0.36) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824784 | 0.76 | OPRD1 (0.33) | OPRD1MEN1KMT2A |
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 |