Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 6/20 | 0.46 |
| ▸ | DRD2 | P14416 | 6/20 | 0.46 |
| ▸ | DRD4 | P21917 | 6/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 8/20 | 0.38 |
| ▸ | HTR2C | P28335 | 5/20 | 0.38 |
| ▸ | HRH2 | P25021 | 3/20 | 0.38 |
| ▸ | HRH1 | P35367 | 3/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | DRD5 | P21918 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7407003 | 0.79 | DRD3 (0.55) | DRD3DRD2DRD4CHRM1HRH4 | |
| SCHEMBL7416404 | 0.75 | DRD3 (0.53) | DRD3DRD2DRD4CHRM1HRH4 | |
| SCHEMBL7256287 | 0.62 | HRH4 (0.76) | DRD3DRD2DRD4CHRM1HRH4 | |
| SCHEMBL8930496 | 0.58 | HRH4 (0.71) | DRD3DRD2DRD4CHRM1HRH4 | |
| SCHEMBL7410763 | 0.58 | HRH4 (0.68) | DRD3DRD2DRD4CHRM1HRH4 | |
| SCHEMBL3834014 | 0.57 | HRH4 (1.00) | DRD3DRD2DRD4CHRM1HRH4 | |
| SCHEMBL3837735 | 0.57 | HRH4 (0.61) | DRD3DRD2DRD4CHRM1HRH4 | |
| SCHEMBL140907 | 0.57 | HRH4 (1.00) | DRD3DRD2DRD4CHRM1HRH4 | |
| SCHEMBL29858682 | 0.56 | EPHX2 (0.50) | — | |
| SCHEMBL2459293 | 0.56 | EPHX2 (0.50) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3962248-A | PROCESS FOR MAKING 11-PIPERAZINO-DIAZEPINES, OXAZEPINES, THIAZEPINES AND AZEPINES | SANDOZ, INC. (US) | 1976-06-08 | — | — | US | disclosed |