Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.58 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 7/20 | 0.45 |
| ▸ | AR | P10275 | 7/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.45 |
| ▸ | SHBG | P04278 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28117758 | 0.84 | CYP19A1 (0.64) | CYP19A1CYP17A1ESR1ARESR2 | |
| SCHEMBL12178073 | 0.84 | CYP19A1 (0.64) | CYP19A1CYP17A1ESR1ARESR2 | |
| SCHEMBL11517207 | 0.84 | CYP19A1 (0.64) | CYP19A1CYP17A1ESR1ARESR2 | |
| SCHEMBL11516176 | 0.80 | CYP19A1 (0.59) | CYP19A1CYP17A1ESR1ARESR2 | |
| SCHEMBL11516179 | 0.80 | CYP19A1 (0.59) | CYP19A1CYP17A1ESR1ARESR2 | |
| SCHEMBL11514918 | 0.79 | SHBG (0.60) | CYP19A1CYP17A1ARSHBG | |
| SCHEMBL11518402 | 0.79 | SHBG (0.60) | CYP19A1CYP17A1ESR1ARESR2 | |
| SCHEMBL11518398 | 0.79 | SHBG (0.60) | CYP19A1CYP17A1ESR1ARESR2 | |
| SCHEMBL3083390 | 0.75 | SHBG (0.72) | CYP17A1ESR1ARESR2SHBG | |
| SCHEMBL10404115 | 0.75 | CYP19A1 (0.57) | CYP19A1CYP17A1ESR1ARESR2 |
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-0690069-B1 | Process for the preparation of 20-oxo, 17-alpha, 21 dihydroxy steroid derivatives and new intermediates thereof | HOECHST MARION ROUSSEL INC (FR) | 2000-01-26 | — | — | EP | disclosed |
| EP-0690069-A1 | Process for the preparation of 20-oxo, 17-alpha, 21 dihydroxy steroid derivatives and new intermediates thereof | ROUSSEL UCLAF (FR) | 1996-01-03 | — | — | EP | disclosed |