Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 11/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28070577 | 0.92 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| Thiocyanic Acid SCHEMBL29007237 | 0.91 | CYP17A1 (0.38) | CYP17A1CYP19A1 | |
| SCHEMBL27727132 | 0.91 | CYP17A1 (0.43) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28122988 | 0.89 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| Sulfuric Acid SCHEMBL28883957 | 0.85 | CYP17A1 (0.38) | CYP17A1CYP19A1 | |
| SCHEMBL25440098 | 0.85 | CYP17A1 (0.43) | CYP17A1CYP19A1 | |
| SCHEMBL2364797 | 0.81 | CYP17A1 (0.46) | CYP17A1CYP19A1 | |
| SCHEMBL9821483 | 0.80 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL27657528 | 0.80 | CYP17A1 (0.45) | CYP17A1CYP19A1 | |
| Hydrochloric Acid SCHEMBL27754751 | 0.80 | CYP17A1 (0.45) | CYP17A1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103467382-A | Method for preparing thiocyanate-containing ionic liquid and application of ionic liquid in polyacrylonitrile spinning processing | ZHEJIANG PEGENT CHEMICAL CO LTD | 2013-12-25 | — | — | CN | disclosed |