Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 5/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.43 |
| ▸ | PTPRG | P23470 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11702705 | 0.88 | CYP19A1 (0.51) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL11704060 | 0.85 | CYP17A1 (0.39) | CYP17A1CYP19A1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL11701849 | 0.80 | CYP17A1 (0.45) | CYP17A1CYP19A1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL11701112 | 0.78 | CYP17A1 (0.41) | CYP17A1CYP19A1CYP3A4 | |
| SCHEMBL11700961 | 0.75 | CYP19A1 (0.44) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL11699862 | 0.75 | CYP17A1 (0.44) | CYP17A1CYP19A1CYP3A4CYP2C19 | |
| SCHEMBL11703823 | 0.74 | CYP17A1 (0.47) | CYP17A1CYP19A1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL11702953 | 0.73 | CYP17A1 (0.42) | CYP17A1CYP19A1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL11702916 | 0.73 | CYP17A1 (0.49) | CYP17A1CYP19A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL11702288 | 0.73 | CYP19A1 (0.40) | CYP17A1CYP19A1CYP3A4CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4006243-A | FUNGICIDE, BACTERICIDE, YEAST | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-02-01 | — | — | US | disclosed |