Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 12/20 | 0.74 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | PGR | P06401 | 1/20 | 0.63 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | IDO1 | P14902 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | MAOA | P21397 | 1/20 | 0.63 |
| ▸ | CNR1 | P21554 | 1/20 | 0.63 |
| ▸ | HTR2A | P28223 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL7387804 | 0.91 | CYP19A1 (0.61) | CYP17A1MEN1NR1I2USP2ABCB11 | |
| SCHEMBL11288869 | 0.82 | CYP17A1 (0.51) | CYP17A1MEN1NR1I2USP2ABCB11 | |
| SCHEMBL11242107 | 0.81 | CYP19A1 (0.63) | CYP17A1MEN1CYP3A4ADRA1AKMT2A | |
| SCHEMBL11436593 | 0.79 | CYP26A1 (0.52) | CYP17A1MEN1NR1I2USP2ABCB11 | |
| SCHEMBL11275821 | 0.79 | CYP17A1 (0.51) | CYP17A1MEN1NR1I2USP2ABCB11 | |
| SCHEMBL11349905 | 0.79 | CYP17A1 (1.00) | CYP17A1MEN1NR1I2USP2ABCB11 | |
| SCHEMBL11245762 | 0.78 | CYP19A1 (0.66) | CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL9490860 | 0.78 | CYP19A1 (0.66) | CYP17A1MEN1KMT2ACYP19A1CYP11B1 | |
| Bifonazole SCHEMBL394764 | 0.78 | CYP17A1 (1.00) | CYP17A1MEN1NR1I2USP2ABCB11 | |
| Bifonazole SCHEMBL1606037 | 0.78 | CYP17A1 (1.00) | CYP17A1MEN1NR1I2USP2ABCB11 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0011769-B1 | HYDROXYETHYL AZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS | BAYER AG (DE) | 1982-04-14 | — | — | EP | disclosed |
| EP-0005250-B1 | HYDROXYPROPYL IMIDAZOLES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | BAYER AG (DE) | 1981-08-12 | — | — | EP | disclosed |
| EP-0011769-A1 | Hydroxyethyl azoles, process for their preparation and their use in medicaments | BAYER AG (DE) | 1980-06-11 | — | — | EP | disclosed |
| EP-0005250-A2 | Hydroxypropyl imidazoles, their preparation and medicaments containing them | BAYER AG (DE) | 1979-11-14 | — | — | EP | disclosed |