Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | RPS6KA3 | P51812 | 5/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.39 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.39 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8716812 | 0.76 | RPS6KA3 (0.65) | CYP17A1RPS6KA3CYP46A1MAOAMAOB | |
| SCHEMBL527072 | 0.75 | PTGS2 (0.50) | CYP17A1PTGS2SLC22A12CYP3A4PTGS1 | |
| SCHEMBL17952942 | 0.75 | RPS6KA3 (0.49) | RPS6KA3CYP46A1MAOAMAOBSLC22A12 | |
| SCHEMBL17952764 | 0.75 | RPS6KA3 (0.49) | CYP17A1RPS6KA3CYP46A1MAOAMAOB | |
| SCHEMBL1704542 | 0.74 | PKM (0.50) | PKM | |
| SCHEMBL21692174 | 0.72 | RPS6KA3 (0.59) | CYP17A1RPS6KA3CYP46A1MAOAMAOB | |
| SCHEMBL21692148 | 0.72 | RPS6KA3 (0.59) | CYP17A1RPS6KA3CYP46A1MAOAMAOB | |
| SCHEMBL7045230 | 0.71 | RPS6KA3 (0.57) | CYP17A1RPS6KA3PTGS2CYP46A1SLC22A12 | |
| SCHEMBL6728690 | 0.70 | RPS6KA3 (0.63) | CYP17A1RPS6KA3PTGS2SLC22A12GPBAR1 | |
| SCHEMBL5700364 | 0.70 | PTGS2 (0.51) | CYP17A1PTGS2MAOAMAOBFGFR1 |
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 4 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 | claimed |
| WO-2012015723-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-02 | — | — | WO | claimed |
| 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 |