Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.58 |
| ▸ | PLAT | P00750 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | EIF4E | P06730 | 2/20 | 0.37 |
| ▸ | MPL | P40238 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3820768 | 0.80 | CYP17A1 (0.68) | CYP17A1PLATMAPTNPC1MEN1 | |
| SCHEMBL6627147 | 0.77 | KDM4E (0.55) | NPC1KMT2AKDM4ECYP19A1RAB9A | |
| SCHEMBL6649842 | 0.77 | CYP19A1 (0.52) | MAPTNPC1KMT2AKDM4ECYP19A1 | |
| SCHEMBL6644407 | 0.76 | CYP17A1 (0.62) | CYP17A1PLATMAPTNPC1MEN1 | |
| SCHEMBL6652270 | 0.76 | MEN1 (0.53) | MAPTNPC1MEN1KMT2AKDM4E | |
| SCHEMBL23657751 | 0.76 | CYP17A1 (0.73) | CYP17A1MAPTNPC1MEN1KMT2A | |
| SCHEMBL6644408 | 0.74 | CYP17A1 (0.60) | CYP17A1PLATMAPTNPC1MEN1 | |
| SCHEMBL6648183 | 0.74 | CACNA1B (0.39) | CYP17A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL6649421 | 0.74 | KDM4E (0.50) | MAPTNPC1MEN1KMT2AKDM4E | |
| SCHEMBL6651514 | 0.74 | RAB9A (0.46) | MAPTNPC1MEN1KMT2AKDM4E |
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 |