Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 10/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6629919 | 0.82 | CYP17A1 (0.55) | CYP17A1CYP2A6CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL14830742 | 0.80 | CYP17A1 (1.00) | CYP17A1CYP2A6CYP1A2 | |
| SCHEMBL6630051 | 0.79 | CYP17A1 (0.52) | CYP17A1CYP2A6CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL1047236 | 0.77 | PDPK1 (0.53) | CYP17A1CYP2A6CYP1A2PDPK1CYP3A4 | |
| SCHEMBL6630189 | 0.76 | CYP17A1 (0.49) | CYP17A1CYP2A6CYP1A2 | |
| SCHEMBL2588012 | 0.75 | CYP17A1 (0.69) | CYP17A1CYP1A2 | |
| SCHEMBL3421743 | 0.75 | TDO2 (0.49) | CYP17A1CYP2A6CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL29988790 | 0.75 | TDO2 (0.49) | CYP17A1CYP2A6CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL1290082 | 0.74 | SRC (0.50) | CYP17A1CYP2A6CYP1A2PDPK1CYP3A4 | |
| SCHEMBL10053508 | 0.74 | CYP1A2 (0.44) | CYP17A1CYP2A6CYP1A2CYP2E1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019149260-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |
| 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 |