Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | AR | P10275 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6646252 | 0.89 | CYP19A1 (0.55) | CYP19A1KDM4EARNPC1RAB9A | |
| SCHEMBL6649581 | 0.84 | EIF4E (0.60) | CYP19A1KDM4EARNPC1RAB9A | |
| SCHEMBL5255350 | 0.82 | KDM4E (0.64) | CYP19A1KDM4EALDH1A1ARNPC1 | |
| SCHEMBL6651736 | 0.82 | RAB9A (0.61) | CYP19A1KDM4EALDH1A1ARNPC1 | |
| SCHEMBL6648187 | 0.81 | KDM4E (0.56) | CYP19A1KDM4EALDH1A1ARNPC1 | |
| SCHEMBL6649680 | 0.80 | KDM4E (0.62) | CYP19A1KDM4EALDH1A1ARNPC1 | |
| SCHEMBL6648190 | 0.80 | KDM4E (0.52) | CYP19A1KDM4EALDH1A1ARNPC1 | |
| SCHEMBL6649689 | 0.79 | AR (0.57) | CYP19A1KDM4EALDH1A1ARRAB9A | |
| SCHEMBL6650456 | 0.79 | RAB9A (0.52) | CYP19A1KDM4EALDH1A1ARNPC1 | |
| SCHEMBL6648655 | 0.78 | KDM4E (0.71) | CYP19A1KDM4EALDH1A1ARNPC1 |
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 |