Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL28109293 | 0.82 | CYP11B1 (0.50) | PTGS2SLC22A12CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL526742 | 0.78 | PTGS2 (0.45) | PTGS2PTGS1SLC22A12CYP3A4GRIA2 | |
| SCHEMBL526708 | 0.75 | CYP17A1 (0.47) | PTGS2PTGS1SLC22A12CYP3A4CYP17A1 | |
| SCHEMBL527053 | 0.74 | CYP17A1 (0.47) | PTGS2PTGS1SLC22A12CYP17A1 | |
| SCHEMBL526758 | 0.74 | ALDH1A1 (0.61) | PTGS2CYP3A4CYP17A1 | |
| SCHEMBL527071 | 0.71 | CYP17A1 (0.51) | PTGS2PTGS1CYP17A1 | |
| SCHEMBL527069 | 0.70 | CYP17A1 (0.61) | PTGS2PTGS1SLC22A12GRIA2CYP17A1 | |
| SCHEMBL527040 | 0.69 | NR1I2 (0.50) | PTGS2CYP11B1CYP11B2DHODH | |
| SCHEMBL21803709 | 0.69 | GCGR (0.52) | PTGS2SLC22A12 | |
| SCHEMBL17795041 | 0.69 | CYP11B1 (0.53) | PTGS2SLC22A12CYP11B1CYP11B2CYP17A1 |
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 |