Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.77 |
| ▸ | CYP21A2 | P08686 | 16/20 | 0.77 |
| ▸ | CYP19A1 | P11511 | 16/20 | 0.77 |
| ▸ | CYP17A1 | P05093 | 15/20 | 0.77 |
| ▸ | CYP11B1 | P15538 | 14/20 | 0.77 |
| ▸ | USP2 | O75604 | 2/20 | 0.77 |
| ▸ | MAPT | P10636 | 2/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.77 |
| ▸ | MEN1 | O00255 | 1/20 | 0.77 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.77 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.77 |
| ▸ | CYP27B1 | O15528 | 1/20 | 0.77 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.77 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.77 |
| ▸ | GMNN | O75496 | 1/20 | 0.77 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | LMNA | P02545 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL2615046 | 0.93 | CYP3A4 (0.76) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL2615048 | 0.93 | CYP3A4 (0.76) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL13284519 | 0.93 | CYP3A4 (0.86) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL2615047 | 0.93 | CYP3A4 (0.86) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11217042 | 0.89 | CYP3A4 (0.71) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| Levoketoconazole SCHEMBL24312989 | 0.87 | CYP3A4 (1.00) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| Ketoconazole SCHEMBL8408 | 0.87 | CYP3A4 (1.00) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| Levoketoconazole SCHEMBL13606596 | 0.87 | CYP3A4 (1.00) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| Levoketoconazole SCHEMBL8407 | 0.87 | CYP3A4 (1.00) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL11216504 | 0.87 | CYP3A4 (0.89) | CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010081036-A2 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-07-15 | — | — | WO | disclosed |