Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL17457491 | 1.00 | AKR1C3 (0.80) | AKR1C3CYP17A1 | |
| SCHEMBL14833558 | 0.92 | AKR1C3 (0.79) | AKR1C3CYP17A1 | |
| SCHEMBL20006531 | 0.92 | AKR1C3 (0.79) | AKR1C3CYP17A1 | |
| SCHEMBL20006388 | 0.90 | AKR1C3 (0.79) | AKR1C3CYP17A1 | |
| SCHEMBL15993455 | 0.90 | AKR1C3 (0.79) | AKR1C3CYP17A1 | |
| SCHEMBL17457513 | 0.89 | AKR1C3 (0.82) | AKR1C3CYP17A1 | |
| SCHEMBL20006632 | 0.89 | AKR1C3 (0.82) | AKR1C3CYP17A1 | |
| SCHEMBL17457520 | 0.89 | AKR1C3 (1.00) | AKR1C3CYP17A1 | |
| SCHEMBL20006570 | 0.89 | AKR1C3 (1.00) | AKR1C3CYP17A1 | |
| SCHEMBL20006559 | 0.88 | AKR1C3 (1.00) | AKR1C3CYP17A1 |
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-2958928-B1 | ESTRA-1,3,5(10),16-TETRAENE-3-CARBOXAMIDES FOR INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASE (AKR1 C3) | Bayer Pharma AG (DE) | 2018-03-28 | — | — | EP | disclosed |