Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Abiraterone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 known ✓ | P05093 | 16/20 | 1.00 |
| ▸ | AR known ✓ | P10275 | 1/20 | 0.71 |
| ▸ | CYP21A2 | P08686 | 6/20 | 1.00 |
| ▸ | CYP11B1 | P15538 | 2/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | CYP11B2 | P19099 | 1/20 | 1.00 |
| ▸ | CDK8 | P49336 | 3/20 | 0.72 |
| ▸ | PGR | P06401 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| Abiraterone SCHEMBL15700283 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 | |
| Abiraterone SCHEMBL16383633 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 | |
| Abiraterone SCHEMBL16381720 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 | |
| Abiraterone SCHEMBL23924960 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 | |
| Abiraterone SCHEMBL17384662 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 | |
| Abiraterone SCHEMBL25074918 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 | |
| Abiraterone SCHEMBL17384634 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 | |
| Abiraterone SCHEMBL13735874 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 | |
| Abiraterone SCHEMBL22414103 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 | |
| Abiraterone SCHEMBL19724576 | 1.00 | CYP17A1 (1.00) | CYP17A1CYP21A2CYP11B1CYP3A4CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015015246-A1 | PROCESS FOR THE PREPARATION OF ABIRATERONE AND ABIRATERONE ACETATE | INDUSTRIALE CHIMICA S.R.L. (IT) | 2015-02-05 | — | — | WO | disclosed |