Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 9/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.63 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14300609 | 1.00 | AR (0.64) | ARKCNH2SRD5A2 | |
| SCHEMBL9221841 | 1.00 | AR (0.64) | ARKCNH2SRD5A2 | |
| SCHEMBL6176597 | 0.84 | MBOAT4 (0.48) | ARKCNH2 | |
| SCHEMBL3895385 | 0.81 | AR (0.46) | ARKCNH2SRD5A2 | |
| SCHEMBL9293075 | 0.81 | AR (0.46) | ARKCNH2SRD5A2 | |
| SCHEMBL13656762 | 0.80 | AR (0.64) | ARKCNH2 | |
| SCHEMBL9482185 | 0.80 | AR (0.64) | ARKCNH2 | |
| SCHEMBL9318312 | 0.79 | MBOAT4 (0.50) | ARKCNH2 | |
| SCHEMBL13656753 | 0.79 | AR (0.66) | ARKCNH2 | |
| SCHEMBL14336691 | 0.79 | AR (0.77) | ARKCNH2SRD5A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641208-A4 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. | MERCK & CO INC (US) | 1995-08-30 | — | — | EP | disclosed |
| EP-0649431-A4 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. | — | 1995-05-03 | — | — | EP | disclosed |
| EP-0649431-A1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1995-04-26 | — | — | EP | disclosed |
| EP-0641208-A1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1995-03-08 | — | — | EP | disclosed |
| WO-1992016233-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | disclosed |