Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 5/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 10/20 | 0.57 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Irtemazole SCHEMBL7453697 | 1.00 | CYP26A1 (0.57) | CYP26A1CYP19A1CYP17A1MEN1NR1I2 | |
| Irtemazole SCHEMBL636285 | 0.91 | CYP26A1 (0.57) | CYP26A1CYP19A1CYP17A1MEN1NR1I2 | |
| SCHEMBL9663550 | 0.89 | CYP19A1 (0.65) | CYP26A1CYP19A1CYP17A1MEN1NR1I2 | |
| SCHEMBL9664150 | 0.89 | CYP19A1 (0.51) | CYP26A1CYP19A1CYP17A1MEN1NR1I2 | |
| SCHEMBL9190606 | 0.86 | CYP26A1 (0.53) | CYP26A1CYP19A1CYP17A1MEN1NR1I2 | |
| SCHEMBL9663750 | 0.86 | CYP26A1 (0.55) | CYP26A1CYP19A1CYP17A1MEN1NR1I2 | |
| SCHEMBL9663498 | 0.86 | CYP26A1 (0.57) | CYP26A1CYP19A1CYP17A1MEN1NR1I2 | |
| SCHEMBL19054891 | 0.84 | CYP17A1 (0.54) | CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL9662847 | 0.83 | CYP26A1 (0.54) | CYP26A1CYP19A1CYP17A1MEN1NR1I2 | |
| Hydrochloric Acid SCHEMBL9664030 | 0.83 | CYP17A1 (0.53) | CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2 |
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-1992018132-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR | MERCK & CO., INC. (US) | 1992-10-29 | — | — | WO | claimed |