Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.30 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.30 |
| ▸ | SRD5A2 | P31213 | 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 | |
|---|---|---|---|---|
| SCHEMBL5070189 | 1.00 | NR1I3 (0.34) | NR1I3CDK5CDK5R1ARKCNH2 | |
| SCHEMBL5069369 | 0.81 | SRD5A1 (0.43) | SRD5A1SRD5A2 | |
| SCHEMBL5069375 | 0.81 | SRD5A1 (0.43) | SRD5A1SRD5A2 | |
| SCHEMBL11771530 | 0.77 | SLC10A1 (0.38) | NR1I3CDK5CDK5R1SLC10A1GRIN1 | |
| SCHEMBL11771521 | 0.77 | SLC10A1 (0.38) | NR1I3CDK5CDK5R1SLC10A1GRIN1 | |
| SCHEMBL5070178 | 0.73 | AR (0.50) | ARKCNH2SRD5A1SRD5A2 | |
| SCHEMBL5070181 | 0.73 | AR (0.50) | ARKCNH2SRD5A1SRD5A2 | |
| SCHEMBL9005677 | 0.71 | SRD5A1 (0.56) | SRD5A1SRD5A2 | |
| SCHEMBL9005680 | 0.71 | SRD5A1 (0.56) | SRD5A1SRD5A2 | |
| SCHEMBL8076029 | 0.71 | NR1I3 (0.47) | NR1I3CDK5CDK5R1GRIN1GRIN2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1467739-A4 | 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS | MERCK & CO INC (US) | 2008-01-09 | — | — | EP | claimed |
| EP-1467739-A2 | 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2004-10-20 | — | — | EP | claimed |
| WO-2003059293-A2 | 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-07-24 | — | — | WO | claimed |