Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 14/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 8/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7266710 | 0.96 | CYP3A4 (0.45) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| Fumaric Acid SCHEMBL4029499 | 0.85 | CYP3A4 (0.58) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| Fumaric Acid SCHEMBL7266706 | 0.85 | CYP3A4 (0.58) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL4027994 | 0.76 | CYP3A4 (0.64) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL4026634 | 0.76 | CYP3A4 (0.64) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| Fumaric Acid SCHEMBL5749701 | 0.71 | CYP17A1 (0.39) | CYP17A1KDM4EALDH1A1HPGDMAPK1 | |
| Fumaric Acid SCHEMBL5749709 | 0.71 | CYP17A1 (0.39) | CYP17A1KDM4EALDH1A1HPGDMAPK1 | |
| SCHEMBL5749704 | 0.71 | CYP17A1 (0.39) | CYP3A4CYP17A1KDM4EALDH1A1HPGD | |
| SCHEMBL5755091 | 0.70 | CYP3A4 (0.56) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL5753009 | 0.69 | CYP3A4 (0.53) | CYP3A4CYP17A1CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1222174-B1 | IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE | TAKEDA PHARMACEUTICAL (JP) | 2009-05-27 | — | — | EP | disclosed |