Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL7960933 | 0.89 | CFTR (0.34) | ARCFTRCYP19A1 | |
| SCHEMBL12299286 | 0.88 | AR (0.35) | ARCFTRCYP19A1 | |
| SCHEMBL7960735 | 0.74 | CYP19A1 (0.34) | ARCFTRCYP19A1 | |
| SCHEMBL12299575 | 0.69 | GPR88 (0.36) | — | |
| SCHEMBL4953083 | 0.60 | AR (0.49) | ARCYP19A1 | |
| SCHEMBL27620794 | 0.60 | AR (0.52) | ARCYP19A1 | |
| SCHEMBL7958829 | 0.58 | AR (0.69) | ARCYP19A1 | |
| SCHEMBL27412212 | 0.58 | MAOB (0.45) | ARCFTRCYP19A1 | |
| SCHEMBL10367427 | 0.57 | SIGMAR1 (0.38) | ARCFTRCYP19A1 | |
| SCHEMBL4365834 | 0.56 | AR (0.54) | ARCYP19A1 |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |