Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 3/20 | 0.69 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.69 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.69 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.69 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.69 |
| ▸ | DRD1 | P21728 | 2/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.69 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.69 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.69 |
| ▸ | HTR1A | P08908 | 1/20 | 0.69 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | DRD2 | P14416 | 2/20 | 0.62 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.62 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.62 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.62 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.62 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL11391218 | 0.92 | CYP2D6 (0.59) | DRD3SLC6A2CYP2D6CHRM2ADRA2A | |
| Diphenylpyraline SCHEMBL119077 | 0.81 | DRD3 (1.00) | DRD3SLC6A2CYP2D6CHRM2ADRA2A | |
| SCHEMBL9682033 | 0.80 | DRD3 (0.54) | DRD3SLC6A2CYP2D6CHRM2ADRA2A | |
| Diphenylpyraline SCHEMBL212198 | 0.80 | MAPK1 (1.00) | DRD3SLC6A2CYP2D6CHRM2ADRA2A | |
| SCHEMBL11402799 | 0.79 | DRD3 (0.53) | DRD3SLC6A2CYP2D6CHRM2ADRA2A | |
| Diphenylpyraline SCHEMBL4543024 | 0.79 | DRD3 (0.93) | DRD3SLC6A2CYP2D6CHRM2ADRA2A | |
| Pyroxamine SCHEMBL1152817 | 0.78 | DRD3 (0.68) | DRD3SLC6A2CYP2D6CHRM2ADRA2A | |
| Benztropine SCHEMBL8659140 | 0.77 | DRD2 (1.00) | DRD3SLC6A2CYP2D6CHRM2ADRA2A | |
| Benztropine SCHEMBL35388 | 0.77 | DRD2 (1.00) | DRD3SLC6A2CYP2D6CHRM2ADRA2A | |
| Benztropine SCHEMBL35390 | 0.77 | DRD2 (1.00) | DRD3SLC6A2CYP2D6CHRM2ADRA2A |
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-5130309-A | Cardiovascular disorders | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-07-14 | — | — | US | disclosed |