Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.70 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 6/20 | 0.49 |
| ▸ | CDK2 | P24941 | 5/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.49 |
| ▸ | CDC7 | O00311 | 2/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2507584 | 0.88 | MAPT (0.70) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA | |
| SCHEMBL10391316 | 0.84 | CYP1A2 (0.58) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA | |
| SCHEMBL9178466 | 0.82 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA | |
| SCHEMBL10392137 | 0.82 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA | |
| SCHEMBL10391265 | 0.82 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA | |
| SCHEMBL2756789 | 0.82 | ALDH1A1 (0.54) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA | |
| SCHEMBL2420515 | 0.81 | CYP1A2 (0.77) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA | |
| SCHEMBL5178865 | 0.76 | CYP1A2 (0.80) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA | |
| SCHEMBL9793307 | 0.74 | CYP1A2 (0.67) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA | |
| SCHEMBL9430781 | 0.74 | CYP1A2 (0.44) | CYP1A2SMN1; SMN2ALDH1A1NPC1GAA |
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 4 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-4971966-A | BRADYCARDIAL, CARDIOVASCULAR DISORDERS | KARL THOMAE GMBH (DE) | 1990-11-20 | — | — | US | 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 |