Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8604667 | 0.82 | MBOAT4 (0.42) | AR | |
| SCHEMBL7905878 | 0.78 | SRD5A1 (0.55) | — | |
| SCHEMBL8523105 | 0.70 | SHBG (0.36) | ARKCNH2SHBG | |
| SCHEMBL916468 | 0.70 | SRD5A1 (0.54) | — | |
| SCHEMBL8523816 | 0.69 | SRD5A2 (0.37) | — | |
| SCHEMBL8713486 | 0.68 | SRD5A1 (0.41) | — | |
| SCHEMBL7741691 | 0.67 | SRD5A2 (0.41) | — | |
| SCHEMBL9065982 | 0.66 | SHBG (0.51) | ARSHBG | |
| SCHEMBL9065981 | 0.66 | SHBG (0.51) | ARSHBG | |
| SCHEMBL7903642 | 0.65 | SRD5A1 (0.54) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786999-A4 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO INC (US) | 1999-01-20 | — | — | EP | disclosed |
| US-5719158-A | 16-substituted-4-aza-androstane 5-alpha-reductase isozyme 1 inhibitors | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0786999-A1 | COMBINATION METHOD FOR ACNE TREATMENT | Merck & Co., Inc. (US) | 1997-08-06 | — | — | EP | disclosed |
| WO-1996012487-A1 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO., INC. (US) | 1996-05-02 | — | — | WO | disclosed |