Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20813674 | 0.93 | CYP11B1 (0.31) | CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL20813282 | 0.93 | HSD17B1 (0.33) | HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL20813702 | 0.90 | GRM5 (0.32) | HSD17B1HSD17B2 | |
| SCHEMBL20803159 | 0.89 | HSD17B1 (0.34) | CYP11B1CYP11B2HSD17B1HSD17B2PDK2 | |
| SCHEMBL20813648 | 0.88 | PDE9A (0.32) | — | |
| SCHEMBL20803158 | 0.88 | HSD17B1 (0.30) | HSD17B1HSD17B2 | |
| SCHEMBL20813752 | 0.87 | CYP11B1 (0.32) | CYP11B1CYP11B2AR | |
| SCHEMBL20813591 | 0.85 | ALOX5AP (0.31) | — | |
| SCHEMBL20813944 | 0.84 | — | — | |
| SCHEMBL20803259 | 0.83 | HSD17B1 (0.33) | HSD17B1HSD17B2ESR1ESR2 |
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-3453697-A1 | COMPOUND HAVING NAPHTHALENE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2019-03-13 | — | — | EP | disclosed |