Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17031764 | 0.83 | CYP19A1 (0.35) | CYP19A1CYP3A4CYP2D6ALDH1A1SLC6A4 | |
| SCHEMBL20876291 | 0.78 | CYP2D6 (0.42) | CYP2D6ALDH1A1SLC6A4SLC6A3 | |
| SCHEMBL25062138 | 0.75 | SLC6A3 (0.38) | CYP19A1CYP3A4ALDH1A1SLC6A4SLC6A3 | |
| SCHEMBL7705762 | 0.75 | SLC6A4 (0.55) | CYP3A4ALDH1A1SLC6A4SLC6A3HSD11B1 | |
| SCHEMBL8655542 | 0.69 | SLC6A4 (0.54) | SLC6A4SLC6A3 | |
| SCHEMBL6485244 | 0.67 | ALDH1A1 (0.40) | CYP2D6ALDH1A1SLC6A4SLC6A3HSD17B10 | |
| SCHEMBL21937430 | 0.67 | HSD11B1 (0.43) | CYP19A1CYP3A4CYP2D6ALDH1A1MAOA | |
| SCHEMBL9790835 | 0.67 | OPRM1 (0.52) | CYP3A4CYP2D6SLC6A4SLC6A3 | |
| SCHEMBL20558406 | 0.67 | OPRM1 (0.42) | ALDH1A1SLC6A4KDM4EHSD11B1 | |
| SCHEMBL20472981 | 0.67 | PFKFB3 (0.39) | CYP19A1ALDH1A1PTGS2KDM4E |
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-2018205948-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-11-15 | — | — | WO | disclosed |