Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.73 |
| ▸ | USP2 | O75604 | 1/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.73 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.73 |
| ▸ | TP53 | P04637 | 1/20 | 0.73 |
| ▸ | PGR | P06401 | 1/20 | 0.73 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
| ▸ | IDO1 | P14902 | 1/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | MAOA | P21397 | 1/20 | 0.73 |
| ▸ | CNR1 | P21554 | 1/20 | 0.73 |
| ▸ | HTR2A | P28223 | 1/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL11353276 | 0.95 | CYP19A1 (0.91) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 | |
| SCHEMBL10693298 | 0.93 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 | |
| SCHEMBL11370543 | 0.92 | CYP19A1 (0.85) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 | |
| SCHEMBL738495 | 0.89 | CYP19A1 (1.00) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 | |
| Hydrochloric Acid SCHEMBL28169692 | 0.88 | CYP19A1 (0.96) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 | |
| Bromide SCHEMBL28170216 | 0.88 | CYP19A1 (0.96) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 | |
| SCHEMBL8917184 | 0.85 | CYP19A1 (0.84) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 | |
| Bifonazole SCHEMBL1551534 | 0.85 | CYP17A1 (1.00) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 | |
| Bifonazole SCHEMBL394764 | 0.85 | CYP17A1 (1.00) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 | |
| Bifonazole SCHEMBL1606037 | 0.85 | CYP17A1 (1.00) | CYP19A1CYP3A4CYP17A1MEN1NR1I2 |
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-0000752-B1 | ALPHA-AZOLYLSULPHIDES, SULPHOXIDES AND SULPHONES, THEIR SALTS AND METAL COMPLEXES, METHOD FOR THEIR PRODUCTION AND FUNGIZIDES CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1981-01-14 | — | — | EP | claimed |