Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 10/20 | 0.47 |
| ▸ | DRD1 | P21728 | 10/20 | 0.47 |
| ▸ | DRD5 | P21918 | 10/20 | 0.47 |
| ▸ | DRD3 | P35462 | 10/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 5/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11038468 | 0.86 | ADRA2A (0.51) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL11160077 | 0.75 | DRD1 (0.46) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL19599365 | 0.72 | DRD2 (0.74) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL11219447 | 0.72 | CHRNA7 (0.44) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL11215258 | 0.71 | DRD2 (0.42) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL10605050 | 0.69 | ADRA2A (0.61) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL10700283 | 0.68 | DRD1 (0.49) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL10998328 | 0.67 | NPSR1 (0.62) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL10914946 | 0.67 | NR1H2 (0.65) | CYP2D6 | |
| SCHEMBL24316040 | 0.67 | MAOA (0.53) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0007070-B1 | 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS HAVING DOPAMINE RECEPTOR BLOCKING ACTIVITY | SMITHKLINE BECKMAN CORPORATION (US) | 1983-01-19 | — | — | EP | disclosed |