Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | DRD5 | P21918 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3285034 | 0.73 | CYP2D6 (0.56) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL3285493 | 0.73 | CYP2D6 (0.56) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL3290899 | 0.73 | CYP2D6 (0.56) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL9541298 | 0.71 | ADRA2A (0.47) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL3886571 | 0.65 | SIGMAR1 (0.46) | CYP2D6DRD1DRD5DRD2DRD3 | |
| SCHEMBL8028688 | 0.64 | ADRA2A (0.50) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL9253068 | 0.62 | CYP2D6 (0.41) | CYP2D6 | |
| SCHEMBL8083358 | 0.62 | ADRA2A (1.00) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL10871080 | 0.61 | NPSR1 (1.00) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL12228557 | 0.61 | SIGMAR1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993004686-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-03-18 | — | — | WO | disclosed |