Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14033906 | 0.87 | HRH3 (0.43) | CYP2D6CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16226979 | 0.87 | HRH3 (0.43) | CYP2D6CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14033908 | 0.87 | CYP2D6 (0.54) | CYP2D6CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14034041 | 0.84 | CYP2D6 (0.48) | CYP2D6CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL26955676 | 0.78 | CYP2D6 (0.60) | CYP2D6CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6582183 | 0.76 | CYP2D6 (0.43) | CYP2D6CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4431100 | 0.76 | SLC6A9 (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3OPRD1 | |
| Hydrochloric Acid SCHEMBL8693220 | 0.75 | MEN1 (0.45) | CYP2D6OPRM1OPRD1SLC6A9DPP4 | |
| SCHEMBL6631216 | 0.75 | HRH1 (0.58) | CYP2D6CYP19A1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL6951585 | 0.75 | HRH1 (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3OPRD1 |
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-7432268-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2008-10-07 | — | — | US | disclosed |
| US-7432268-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2008-10-07 | — | — | US | disclosed |