Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 11/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3375902 | 0.79 | ACACB (0.49) | CYP17A1EPHX2NR1H4IKBKBCHUK | |
| SCHEMBL527462 | 0.74 | CYP17A1 (0.66) | CYP17A1SLC6A3 | |
| Lithium SCHEMBL31041157 | 0.71 | CYP17A1 (0.63) | CYP17A1KDM4E | |
| SCHEMBL526763 | 0.70 | CYP17A1 (0.53) | CYP17A1KDM4E | |
| SCHEMBL13950331 | 0.66 | KMO (0.46) | FFAR4 | |
| SCHEMBL526391 | 0.66 | CYP17A1 (0.78) | CYP17A1SLC6A3 | |
| SCHEMBL526999 | 0.66 | CYP17A1 (0.72) | CYP17A1 | |
| SCHEMBL4661111 | 0.65 | CYP17A1 (0.56) | CYP17A1IKBKBCHUKKDM4E | |
| SCHEMBL11233535 | 0.64 | PTGS1 (0.55) | CYP17A1KDM4E | |
| SCHEMBL527307 | 0.64 | CYP17A1 (0.73) | CYP17A1 |
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-2598481-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012015723-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-02 | — | — | WO | disclosed |