Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14033868 | 0.87 | CYP2D6 (0.49) | CYP2D6CYP19A1OPRM1OPRD1SLC6A9 | |
| SCHEMBL26673752 | 0.86 | HRH3 (0.46) | CYP2D6CYP19A1OPRM1OPRD1SLC6A2 | |
| SCHEMBL14034041 | 0.83 | CYP2D6 (0.48) | CYP2D6CYP19A1OPRM1OPRD1SLC6A9 | |
| SCHEMBL26955676 | 0.82 | CYP2D6 (0.60) | CYP2D6CYP19A1OPRM1OPRD1SLC6A9 | |
| SCHEMBL14033816 | 0.78 | CYP2D6 (0.55) | CYP2D6CYP19A1OPRM1OPRD1SLC6A9 | |
| SCHEMBL14034022 | 0.78 | CYP2D6 (0.55) | CYP2D6CYP19A1OPRM1OPRD1SLC6A9 | |
| SCHEMBL6829324 | 0.78 | SLC6A9 (0.51) | CYP2D6CYP19A1OPRD1SLC6A9SLC6A2 | |
| SCHEMBL14034069 | 0.77 | CYP2D6 (0.54) | CYP2D6CYP19A1OPRM1OPRD1SLC6A9 | |
| SCHEMBL6582183 | 0.76 | CYP2D6 (0.43) | CYP2D6CYP19A1OPRM1SLC6A2SLC6A4 | |
| SCHEMBL14033507 | 0.75 | CYP2D6 (0.51) | CYP2D6CYP19A1OPRM1OPRD1SLC6A9 |
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 |