Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | AR | P10275 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9318312 | 0.80 | MBOAT4 (0.50) | MBOAT4CYP19A1ARKCNH2CDK5 | |
| SCHEMBL4661935 | 0.77 | AR (0.41) | ARKCNH2 | |
| SCHEMBL10701147 | 0.74 | MBOAT4 (0.44) | MBOAT4CYP19A1ARKCNH2 | |
| SCHEMBL14300609 | 0.72 | AR (0.64) | ARKCNH2 | |
| SCHEMBL9113552 | 0.72 | AR (0.64) | ARKCNH2 | |
| SCHEMBL9221841 | 0.72 | AR (0.64) | ARKCNH2 | |
| SCHEMBL8158365 | 0.71 | MBOAT4 (0.41) | MBOAT4CYP19A1ARKCNH2 | |
| SCHEMBL2641204 | 0.69 | MBOAT4 (0.44) | MBOAT4ARKCNH2 | |
| SCHEMBL2641299 | 0.69 | MBOAT4 (0.41) | MBOAT4ARKCNH2 | |
| SCHEMBL4270787 | 0.68 | MBOAT4 (0.40) | MBOAT4CYP19A1CDK5CDK5R1 |
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 | disclosed |
| EP-1467739-A2 | 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2004-10-20 | — | — | EP | disclosed |
| WO-2003059293-A2 | 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-07-24 | — | — | WO | disclosed |