Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL19446469 | 0.83 | ANPEP (0.39) | CYP17A1 | |
| SCHEMBL13792137 | 0.83 | ALDH1A1 (0.41) | CYP17A1FFAR1 | |
| SCHEMBL11493802 | 0.80 | MAOB (0.42) | CYP17A1FFAR1 | |
| SCHEMBL24233802 | 0.79 | MEN1 (0.36) | CYP17A1 | |
| SCHEMBL11487942 | 0.78 | CYP17A1 (0.48) | CYP17A1FFAR1 | |
| SCHEMBL11493405 | 0.78 | TRPA1 (0.42) | CYP17A1FFAR1TRPA1 | |
| SCHEMBL11487070 | 0.78 | MAOB (0.46) | CYP17A1FFAR1 | |
| SCHEMBL11488183 | 0.78 | CYP17A1 (0.39) | CYP17A1FFAR1 | |
| Ethylamine SCHEMBL11493804 | 0.78 | CYP17A1 (0.43) | CYP17A1FFAR1 | |
| SCHEMBL11492769 | 0.77 | ALDH1A1 (0.38) | CYP17A1 |
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-2735600-B1 | NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME | DAINIPPON INK & CHEMICALS (JP) | 2018-01-17 | — | — | EP | disclosed |