Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | AKT1 | P31749 | 12/20 | 0.52 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22734224 | 0.86 | EGFR (0.53) | EGFRALDH1A1AKT1 | |
| SCHEMBL9431569 | 0.84 | ALDH1A1 (0.57) | ALDH1A1AKT1CYP1A2SMN1; SMN2 | |
| SCHEMBL22734134 | 0.83 | EGFR (0.52) | EGFRALDH1A1AKT1 | |
| SCHEMBL2697706 | 0.82 | ALDH1A1 (0.50) | ALDH1A1AKT1CYP1A2SMN1; SMN2 | |
| SCHEMBL2700690 | 0.82 | AKT1 (0.52) | EGFRALDH1A1AKT1 | |
| SCHEMBL9684779 | 0.81 | ALDH1A1 (0.52) | ALDH1A1AKT1CYP1A2SMN1; SMN2 | |
| SCHEMBL2700153 | 0.81 | SMN1; SMN2 (0.59) | ALDH1A1AKT1CYP1A2SMN1; SMN2 | |
| SCHEMBL10215596 | 0.78 | ALDH1A1 (0.51) | ALDH1A1AKT1MAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL11486350 | 0.78 | ALDH1A1 (0.55) | ALDH1A1AKT1CYP1A2SMN1; SMN2 | |
| SCHEMBL2700613 | 0.75 | ALDH1A1 (0.50) | ALDH1A1AKT1MAPTSMN1; SMN2 |
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-0344543-B1 | CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1992-07-22 | — | — | EP | disclosed |
| US-5006522-A | Vagal pacemaker for treatment of bradycardia or radyarrhythmia | KARL THOMAE GMBH (DE) | 1991-04-09 | — | — | US | disclosed |
| EP-0344543-A2 | Condensed diazepinones, process for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1989-12-06 | — | — | EP | disclosed |