Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 9/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.35 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6630051 | 0.83 | CYP17A1 (0.52) | CYP17A1CYP1A2ABL1CYP2A6CYP2E1 | |
| SCHEMBL11903297 | 0.82 | ENPP3 (0.42) | CYP17A1CYP2A6CYP3A4SRCZAP70 | |
| SCHEMBL6673318 | 0.82 | CYP17A1 (0.65) | CYP17A1CYP1A2ABL1CYP2A6CYP2E1 | |
| SCHEMBL7588401 | 0.79 | HSP90AA1 (0.41) | CYP17A1CYP2A6SRCZAP70SYK | |
| SCHEMBL12707407 | 0.77 | PLA2G7 (0.49) | CYP17A1CYP1A2ABL1CYP2A6MAP4K1 | |
| SCHEMBL527609 | 0.76 | ABL1 (0.45) | CYP17A1CYP1A2ABL1CYP2A6MAP4K1 | |
| SCHEMBL6871106 | 0.76 | HSP90AA1 (0.43) | CYP2A6CYP2C9SRCZAP70SYK | |
| SCHEMBL7086302 | 0.75 | ABL1 (0.44) | CYP17A1CYP1A2ABL1CYP2A6MAP4K1 | |
| SCHEMBL5687575 | 0.73 | TSHR (0.50) | CYP17A1CYP1A2ABL1CYP2A6MAP4K1 | |
| SCHEMBL457582 | 0.73 | HSP90AA1 (0.43) | CYP2A6CYP2C9SRCZAP70SYK |
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-1432706-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003027085-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |