Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CDC25A | P30304 | 1/20 | 0.50 |
| ▸ | CDC25B | P30305 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6648507 | 0.88 | KDM4E (0.53) | CYP19A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL6649714 | 0.86 | CYP19A1 (0.43) | CYP19A1CYP1A1CYP1B1MAPTKDM4E | |
| SCHEMBL6649082 | 0.85 | KDM4E (0.61) | CYP19A1MAPTKDM4EATMSMN1; SMN2 | |
| SCHEMBL6647162 | 0.85 | KDM4E (0.61) | CYP19A1MAPTKDM4EATMSMN1; SMN2 | |
| SCHEMBL6647407 | 0.84 | KDM4E (0.59) | CYP19A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL6647072 | 0.83 | NPC1 (0.57) | CYP19A1CYP1A1CYP1B1MAPTKDM4E | |
| SCHEMBL6649092 | 0.81 | GAA (0.50) | CYP19A1CYP1A1CYP1B1KDM4ESMN1; SMN2 | |
| SCHEMBL6646446 | 0.81 | KDM4E (0.55) | CYP19A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL6629035 | 0.80 | CYP19A1 (0.65) | CYP19A1CYP1A1CYP1B1MAPTKDM4E | |
| SCHEMBL4279334 | 0.80 | KDM4E (0.75) | CYP19A1CYP1A1CYP1B1MAPTKDM4E |
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 |