Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27928346 | 0.75 | DHODH (0.46) | CYP11B1CYP11B2PTGS2DHODH | |
| SCHEMBL10205412 | 0.74 | CYP17A1 (0.58) | CYP11B1CYP11B2PTGES2DHODH | |
| SCHEMBL9959448 | 0.74 | CA12 (0.56) | NR1I2CA12CA9CYP11B1CYP11B2 | |
| SCHEMBL11910521 | 0.73 | CA12 (0.86) | NR1I2CA12CA9MAPTMCOLN3 | |
| SCHEMBL812702 | 0.73 | CA12 (0.78) | NR1I2CA12CA9MAPTMCOLN3 | |
| SCHEMBL526742 | 0.72 | PTGS2 (0.45) | PTGS2PTGES2 | |
| SCHEMBL526867 | 0.71 | CYP17A1 (0.53) | PTGS2PTGES2DHODH | |
| SCHEMBL5136325 | 0.70 | NR1I2 (0.55) | NR1I2CA12CA9MAPTMCOLN3 | |
| SCHEMBL526361 | 0.70 | UQCRB (0.58) | CA12CA9CYP11B1CYP11B2MAPT | |
| SCHEMBL6794824 | 0.70 | CA12 (0.73) | NR1I2CA12CA9MAPTMCOLN3 |
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 |