Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 18/20 | 0.65 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL526764 | 0.83 | CYP17A1 (0.69) | CYP17A1PTGS1PTGS2 | |
| SCHEMBL18036554 | 0.80 | CYP17A1 (0.65) | CYP17A1PTGS1PTGS2 | |
| SCHEMBL10272847 | 0.80 | CYP17A1 (0.41) | CYP17A1 | |
| SCHEMBL526869 | 0.80 | CYP17A1 (0.70) | CYP17A1PTGS1PTGS2 | |
| SCHEMBL526391 | 0.79 | CYP17A1 (0.78) | CYP17A1PTGS1PTGS2 | |
| SCHEMBL527331 | 0.79 | CYP17A1 (1.00) | CYP17A1 | |
| SCHEMBL10272852 | 0.79 | PDGFRB (0.43) | CYP17A1 | |
| SCHEMBL526755 | 0.76 | CYP17A1 (0.76) | CYP17A1PTGS1PTGS2 | |
| SCHEMBL526951 | 0.76 | CYP17A1 (0.76) | CYP17A1 | |
| SCHEMBL526580 | 0.74 | CYP17A1 (0.76) | CYP17A1PTGS1PTGS2 |
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-2012015723-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-02 | — | — | WO | disclosed |