Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.47 |
| ▸ | AXL | P30530 | 1/20 | 0.44 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6648612 | 0.91 | CYP19A1 (0.43) | CYP19A1AXLPBRM1MKNK1MKNK2 | |
| SCHEMBL6652389 | 0.84 | KDM4E (0.59) | CYP19A1AXLPBRM1MKNK1MKNK2 | |
| SCHEMBL6628863 | 0.83 | CYP19A1 (0.48) | CYP19A1AXLPBRM1MKNK1MKNK2 | |
| SCHEMBL6649987 | 0.82 | KDM4E (0.56) | CYP19A1AXLPBRM1MKNK1MKNK2 | |
| SCHEMBL6646406 | 0.82 | KDM4E (0.61) | CYP19A1AXLPBRM1MKNK1MKNK2 | |
| SCHEMBL6628865 | 0.82 | CYP19A1 (0.58) | CYP19A1AXLPBRM1MKNK1MKNK2 | |
| SCHEMBL6648609 | 0.79 | CYP19A1 (0.44) | CYP19A1AXLPBRM1MKNK1MKNK2 | |
| SCHEMBL6648675 | 0.79 | EIF4E (0.58) | RAB9ANPC1KDM4EKMT2A | |
| SCHEMBL6626251 | 0.79 | KDM4E (0.52) | CYP19A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL6646510 | 0.79 | CDC25A (0.56) | CYP19A1AXLPBRM1MKNK1MKNK2 |
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 |