Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | MBOAT4 | Q96T53 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10582748 | 0.88 | MBOAT4 (0.41) | SRD5A2MBOAT4GRIN1GRIN2BNR1I3 | |
| SCHEMBL7609106 | 0.88 | MBOAT4 (0.41) | SRD5A2MBOAT4GRIN1GRIN2BNR1I3 | |
| SCHEMBL4731753 | 0.87 | SRD5A2 (0.53) | SRD5A2MBOAT4GRIN1GRIN2BNR1I3 | |
| SCHEMBL10485581 | 0.87 | MBOAT4 (0.40) | SRD5A2MBOAT4GRIN1GRIN2BNR1I3 | |
| SCHEMBL9647692 | 0.82 | SRD5A2 (0.46) | SRD5A2MBOAT4GRIN1GRIN2B | |
| SCHEMBL8411683 | 0.82 | SRD5A2 (0.39) | SRD5A2 | |
| SCHEMBL8764680 | 0.79 | MBOAT4 (0.35) | SRD5A2MBOAT4GRIN1GRIN2B | |
| SCHEMBL10485958 | 0.78 | SRD5A2 (0.37) | SRD5A2MBOAT4GRIN1GRIN2B | |
| SCHEMBL10485961 | 0.78 | SRD5A2 (0.37) | SRD5A2MBOAT4GRIN1GRIN2B | |
| SCHEMBL6445820 | 0.77 | MBOAT4 (0.38) | SRD5A2MBOAT4GRIN1GRIN2BNR1I3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |