Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | TACR2 | P21452 | 5/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL194768 | 0.80 | TP53 (1.00) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL4876834 | 0.78 | TP53 (0.98) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL14430767 | 0.76 | SLC6A2 (0.70) | SLC6A2SLC6A4TACR2ADRA1DADRA1A | |
| SCHEMBL8975472 | 0.74 | TP53 (0.72) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL18502023 | 0.72 | SLC6A2 (0.69) | SLC6A2SLC6A4TACR2ADRA1DADRA1A | |
| SCHEMBL4877646 | 0.71 | TP53 (0.84) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL8975590 | 0.68 | RAB9A (0.80) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL718693 | 0.68 | HSD17B2 (0.46) | CYP1A2SLC6A2 | |
| SCHEMBL4284931 | 0.68 | DRD4 (0.45) | SLC6A4DRD2 | |
| SCHEMBL12918735 | 0.66 | HRH4 (0.67) | SLC6A2SLC6A4DRD2DRD3 |
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-0475844-B1 | Use of N-(1.hexahydroazepinylalkyl) acetamides for the manufacture of medicaments for the treatment of disorders of the cholineogic transmission | UNIV CAEN (FR) | 1996-04-17 | — | — | EP | claimed |
| US-5200405-A | USE OF N-(1-HEXAHYDROAZEPINYLALKYL) ACETAMIDES FOR THE TREATMENT OF CHOLINERGIC TRANSMISSION DISORDERS | ADIR ET COMPAGNIE (FR) | 1993-04-06 | — | — | US | claimed |
| US-5200405-A | USE OF N-(1-HEXAHYDROAZEPINYLALKYL) ACETAMIDES FOR THE TREATMENT OF CHOLINERGIC TRANSMISSION DISORDERS | ADIR ET COMPAGNIE (FR) | 1993-04-06 | — | — | US | disclosed |