Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | NR1I3 | Q14994 | 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 | |
|---|---|---|---|---|
| SCHEMBL8712724 | 0.81 | MBOAT4 (0.41) | MBOAT4GRIN1GRIN2BCYP19A1CDK5 | |
| SCHEMBL10582748 | 0.78 | MBOAT4 (0.41) | MBOAT4GRIN1GRIN2BCYP19A1NR1I3 | |
| SCHEMBL7609106 | 0.78 | MBOAT4 (0.41) | MBOAT4GRIN1GRIN2BCYP19A1NR1I3 | |
| SCHEMBL10485581 | 0.77 | MBOAT4 (0.40) | MBOAT4GRIN1GRIN2BCYP19A1CDK5 | |
| SCHEMBL8710573 | 0.77 | MBOAT4 (0.40) | MBOAT4GRIN1GRIN2BCYP19A1CDK5 | |
| SCHEMBL9844548 | 0.76 | SRD5A2 (0.40) | MBOAT4GRIN1GRIN2BCYP19A1NR1I3 | |
| SCHEMBL8709564 | 0.76 | MBOAT4 (0.39) | MBOAT4GRIN1GRIN2BCYP19A1CDK5 | |
| SCHEMBL9647692 | 0.75 | SRD5A2 (0.46) | MBOAT4GRIN1GRIN2B | |
| SCHEMBL6445820 | 0.74 | MBOAT4 (0.38) | MBOAT4GRIN1GRIN2BCYP19A1NR1I3 | |
| SCHEMBL4731753 | 0.74 | SRD5A2 (0.53) | MBOAT4GRIN1GRIN2BNR1I3 |
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-0880540-A1 | 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE | HOECHST MARION ROUSSEL, INC. (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997030069-A1 | 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-21 | — | — | WO | disclosed |