Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | CHRM2 | P08172 | 17/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 15/20 | 0.59 |
| ▸ | CHRM4 | P08173 | 12/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 10/20 | 0.58 |
| ▸ | CHRM5 | P08912 | 7/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL8880500 | 0.98 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9667262 | 0.91 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9727995 | 0.91 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9675964 | 0.90 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9824296 | 0.88 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11192698 | 0.87 | ALDH1A1 (0.85) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9727836 | 0.87 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9728077 | 0.87 | CHRM2 (0.77) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9824288 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10571852 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175158-A | CONDENSED DIAZEPINONES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | DR. KARL THOMAE, GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0312895-A2 | Condensed diazepinones, process for their preparation and medicament containing them | Dr. Karl Thomae GmbH (DE) | 1989-04-26 | — | — | EP | disclosed |