Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8020694 | 0.89 | MBOAT4 (0.36) | MBOAT4CYP19A1SRD5A1SRD5A2CDK5 | |
| SCHEMBL8006579 | 0.85 | DDB1 (0.46) | MBOAT4CYP19A1SRD5A1 | |
| SCHEMBL8710564 | 0.81 | MBOAT4 (0.38) | MBOAT4CYP19A1SRD5A1SRD5A2CDK5 | |
| SCHEMBL8020709 | 0.81 | MBOAT4 (0.35) | MBOAT4CYP19A1SRD5A1SRD5A2CDK5 | |
| SCHEMBL8023121 | 0.79 | DDB1 (0.42) | MBOAT4CYP19A1SRD5A1CDK5CDK5R1 | |
| SCHEMBL8017249 | 0.79 | SRD5A1 (0.38) | MBOAT4CYP19A1SRD5A1SRD5A2CDK5 | |
| SCHEMBL8017204 | 0.77 | MBOAT4 (0.38) | MBOAT4CYP19A1SRD5A1CDK5CDK5R1 | |
| SCHEMBL8019115 | 0.77 | SRD5A1 (0.37) | MBOAT4CYP19A1SRD5A1SRD5A2CDK5 | |
| SCHEMBL8023088 | 0.76 | SRD5A1 (0.39) | MBOAT4CYP19A1SRD5A1SRD5A2CDK5 | |
| SCHEMBL9546857 | 0.74 | CDK5 (0.43) | MBOAT4CYP19A1SRD5A1CDK5CDK5R1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0664812-B1 | 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES | MERCK & CO INC (US) | 2000-01-05 | — | — | EP | claimed |