Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 7/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.66 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL9744717 | 0.90 | AR (0.65) | ARKCNH2SRD5A2 | |
| SCHEMBL9744995 | 0.88 | AR (0.63) | ARKCNH2SRD5A2 | |
| SCHEMBL5116733 | 0.88 | AR (0.74) | ARKCNH2SRD5A2 | |
| SCHEMBL13403347 | 0.88 | AR (0.74) | ARKCNH2SRD5A2 | |
| SCHEMBL14013760 | 0.88 | AR (0.74) | ARKCNH2SRD5A2 | |
| SCHEMBL5247649 | 0.88 | AR (0.74) | ARKCNH2SRD5A2 | |
| SCHEMBL5874196 | 0.88 | AR (0.74) | ARKCNH2SRD5A2 | |
| SCHEMBL9747038 | 0.88 | AR (0.67) | ARKCNH2SRD5A2 | |
| SCHEMBL7614998 | 0.87 | AR (0.72) | ARKCNH2SRD5A2 | |
| SCHEMBL7615006 | 0.87 | AR (0.72) | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5151429-A | Enzyme inhibitors, skin disorders and antiandrogens | MERCK & CO., INC. (US) | 1992-09-29 | — | — | US | disclosed |
| US-5120742-A | Androstanes as enzyme inhibitors | MERCK & CO., INC. (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0314199-B1 | 17 BETA-SUBSTITUTED-4-AZA-5 ALPHA-ANDROSTENONES AND THEIR USE AS 5 ALPHA-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1991-09-18 | — | — | EP | disclosed |
| US-5049562-A | Enzyme inhibitors, antiandrogens | MERCK & CO., INC. (US) | 1991-09-17 | — | — | US | disclosed |
| EP-0414490-A2 | 17 Beta-acyl-4-aza-5 alpha-androst-1-ene-3-one as 5 alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1991-02-27 | — | — | EP | disclosed |
| EP-0414491-A2 | 17 Beta-acyl-4-aza-5 alpha-androst-1-ene-3-ones as 5 alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1991-02-27 | — | — | EP | disclosed |
| US-4859681-A | 17 α-Acyl-4-aza-5a-androst-1-en-3-ones as 5 alpha-reductase inhibitors | MERCK & CO., INC. (US) | 1989-08-22 | — | — | US | disclosed |
| EP-0314199-A1 | 17 Beta-substituted-4-aza-5 alpha-androstenones and their use as 5 alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1989-05-03 | — | — | EP | disclosed |
| EP-0271219-A1 | Topical pharmaceutical composition containing 17-beta-methoxycarbonyl-4-methyl-4-aza-5-alpha-androst-1-en-3-one | MERCK & CO. INC. (US) | 1988-06-15 | — | — | EP | disclosed |
| EP-0155096-A2 | 17 Beta-Substituted-4-aza-5-alpha-androstenones and their use as 5-alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1985-09-18 | — | — | EP | disclosed |