Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SHBG | P04278 | 2/20 | 0.40 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7713246 | 0.87 | CYP3A4 (0.42) | CYP19A1GPBAR1LMNAMEN1KMT2A | |
| SCHEMBL8710573 | 0.82 | MBOAT4 (0.40) | CYP19A1 | |
| SCHEMBL7522879 | 0.73 | SRD5A1 (0.58) | CYP19A1AKR1B10AKR1B1OR51E2 | |
| SCHEMBL7522890 | 0.73 | SRD5A1 (0.58) | CYP19A1AKR1B10AKR1B1OR51E2 | |
| SCHEMBL8715298 | 0.73 | CYP19A1 (0.48) | CYP19A1AKR1B10AKR1B1OR51E2MAPK1 | |
| SCHEMBL7713428 | 0.71 | CYP3A4 (0.51) | CYP19A1GPBAR1LMNAMEN1KMT2A | |
| SCHEMBL8712724 | 0.69 | MBOAT4 (0.41) | CYP19A1 | |
| SCHEMBL7611331 | 0.68 | SRD5A1 (0.58) | — | |
| SCHEMBL7611329 | 0.68 | SRD5A1 (0.58) | — | |
| SCHEMBL1115380 | 0.68 | CYP19A1 (0.63) | CYP19A1AKR1B10AKR1B1OR51E2MAPK1 |
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 |