Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824133 | 0.95 | CYP1A2 (0.32) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824843 | 0.92 | OPRM1 (0.33) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824235 | 0.89 | OPRM1 (0.34) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824889 | 0.89 | S1PR1 (0.32) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824883 | 0.84 | OPRD1 (0.34) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824458 | 0.82 | MAPT (0.37) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824759 | 0.81 | S1PR1 (0.38) | OPRM1OPRL1SLC6A4 | |
| SCHEMBL9824198 | 0.80 | MAPT (0.41) | CYP1A2CYP3A4CHRM2CHRM4CHRM1 | |
| SCHEMBL9824773 | 0.79 | S1PR1 (0.31) | OPRM1OPRL1 | |
| SCHEMBL9824002 | 0.79 | OPRM1 (0.32) | OPRM1OPRL1 |
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 |