Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16871096 | 0.90 | AKR1C3 (0.44) | NISCHERN1KMOAKR1C3AKR1C2 | |
| SCHEMBL16871033 | 0.86 | AKR1C3 (0.41) | NISCHERN1KMOAKR1C3AKR1C2 | |
| SCHEMBL13703909 | 0.83 | NISCH (0.50) | NISCHERN1KMOAKR1C3AKR1C2 | |
| SCHEMBL16871084 | 0.82 | AKR1C3 (0.48) | NISCHKMOAKR1C3AKR1C2AKR1B10 | |
| SCHEMBL16871167 | 0.82 | MCL1 (0.39) | HSD17B1HSD17B2 | |
| SCHEMBL12377626 | 0.81 | NISCH (0.52) | NISCHERN1KMOAKR1C3AKR1C2 | |
| SCHEMBL16871166 | 0.81 | NISCH (0.40) | NISCHERN1KMOAKR1C3AKR1C2 | |
| SCHEMBL16871134 | 0.79 | PDE3B (0.41) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL1513346 | 0.78 | ESR2 (0.55) | NISCHERN1KIF11ESR2HSD17B1 | |
| SCHEMBL10018704 | 0.77 | NISCH (0.46) | NISCHERN1KMOAKR1C3AKR1C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9428693-B2 | Liquid crystal composition having negative dielectric anisotropy | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2016-08-30 | — | — | US | disclosed |
| US-20150184075-A1 | Liquid Crystal Composition Having Negative Dielectric Anisotropy | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2015-07-02 | — | — | US | disclosed |