Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 18/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 14/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL30329221 | 1.00 | HCRTR2 (0.38) | HCRTR2HCRTR1CYP17A1AR | |
| SCHEMBL25164551 | 0.95 | HCRTR2 (0.34) | HCRTR2HCRTR1CYP17A1AR | |
| SCHEMBL30328976 | 0.95 | HCRTR2 (0.34) | HCRTR2HCRTR1CYP17A1AR | |
| SCHEMBL30329035 | 0.94 | CYP17A1 (0.34) | HCRTR2HCRTR1CYP17A1AR | |
| SCHEMBL25164586 | 0.94 | CYP17A1 (0.34) | HCRTR2HCRTR1CYP17A1AR | |
| SCHEMBL25164900 | 0.93 | HCRTR2 (0.35) | HCRTR2HCRTR1CYP17A1AR | |
| SCHEMBL30329163 | 0.93 | HCRTR2 (0.35) | HCRTR2HCRTR1CYP17A1AR | |
| SCHEMBL25164587 | 0.90 | AR (0.33) | HCRTR2HCRTR1CYP17A1AR | |
| SCHEMBL30329268 | 0.90 | AR (0.33) | HCRTR2HCRTR1CYP17A1AR | |
| SCHEMBL25164815 | 0.89 | AR (0.33) | HCRTR2HCRTR1CYP17A1AR |
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-2023064343-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | VANQUA BIO, INC. (US) | 2023-04-20 | — | — | WO | disclosed |