Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL900497 | 0.69 | CYP17A1 (1.00) | CYP17A1CYP1A2 | |
| SCHEMBL899722 | 0.69 | CYP17A1 (0.64) | CYP17A1CYP1A2CNR1NR1H4 | |
| SCHEMBL30119632 | 0.69 | CYP17A1 (0.60) | CYP17A1CYP1A2CNR1 | |
| SCHEMBL903225 | 0.68 | CYP17A1 (0.70) | CYP17A1CYP1A2CNR1NR1H4 | |
| SCHEMBL899348 | 0.67 | CYP17A1 (1.00) | CYP17A1CYP1A2 | |
| SCHEMBL900558 | 0.67 | CYP17A1 (0.55) | CYP17A1CYP1A2 | |
| SCHEMBL900217 | 0.65 | CYP17A1 (0.74) | CYP17A1CYP1A2CNR1NR1H4 | |
| SCHEMBL903217 | 0.65 | CYP17A1 (1.00) | CYP17A1CYP1A2CNR1 | |
| SCHEMBL900391 | 0.65 | CYP17A1 (0.74) | CYP17A1CYP1A2CNR1NR1H4 | |
| SCHEMBL900104 | 0.65 | CYP17A1 (1.00) | CYP17A1CYP1A2 |
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-2012044537-A1 | SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |