Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 16/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.47 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6673318 | 0.76 | CYP17A1 (0.65) | CYP17A1CYP1A2CYP2A6 | |
| SCHEMBL1988909 | 0.74 | FYN (0.43) | SMPD3 | |
| SCHEMBL5085483 | 0.73 | SMPD3 (0.45) | CYP1A2SMPD3 | |
| SCHEMBL26259608 | 0.72 | SMPD3 (0.42) | CYP1A2BDKRB2SMPD3 | |
| SCHEMBL5396495 | 0.72 | ADRA1D (0.52) | CYP1A2SMPD3 | |
| SCHEMBL29715238 | 0.72 | ADRA1D (0.52) | CYP1A2SMPD3 | |
| SCHEMBL2152304 | 0.71 | GAA (0.54) | CYP1A2SMPD3 | |
| SCHEMBL14830909 | 0.70 | CYP17A1 (0.65) | CYP17A1CYP1A2 | |
| SCHEMBL26259637 | 0.69 | SMPD3 (0.50) | CYP2A6SMPD3 | |
| SCHEMBL3201031 | 0.68 | PARP1 (0.46) | SMPD3 |
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 |