Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.57 |
| ▸ | DRD2 | P14416 | 6/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16208331 | 0.89 | SIGMAR1 (0.61) | SIGMAR1DRD2DRD3LMNAMAPT | |
| SCHEMBL11821795 | 0.88 | SIGMAR1 (0.45) | SIGMAR1DRD2DRD3HRH1HTR2A | |
| SCHEMBL11822536 | 0.86 | DRD2 (0.57) | SIGMAR1DRD2 | |
| SCHEMBL11821412 | 0.85 | DRD2 (0.57) | SIGMAR1DRD2DRD3LMNAALDH1A1 | |
| SCHEMBL11831827 | 0.84 | DRD2 (0.56) | SIGMAR1DRD2DRD3LMNAALDH1A1 | |
| SCHEMBL11820342 | 0.84 | DRD2 (0.43) | SIGMAR1DRD2DRD3LMNAMAPT | |
| SCHEMBL11824169 | 0.84 | SIGMAR1 (0.46) | SIGMAR1DRD2DRD3LMNAMAPT | |
| SCHEMBL11826406 | 0.83 | DRD2 (0.55) | SIGMAR1DRD2DRD3HTR2AHTR2C | |
| SCHEMBL11821644 | 0.80 | DRD2 (0.53) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| SCHEMBL11828275 | 0.79 | SLC6A3 (0.50) | SIGMAR1DRD2SLC6A3 |
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-3980797-A | Hexahydro-diazepino-indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-09-14 | — | — | US | claimed |
| US-3980797-A | Hexahydro-diazepino-indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-09-14 | — | — | US | disclosed |