Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7858850 | 0.78 | PTGS2 (0.50) | PTGS2PTGS1PDE3BPDE3A | |
| SCHEMBL9497334 | 0.77 | ALDH1A1 (0.48) | ESR1PTGS2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9179259 | 0.75 | FEN1 (0.55) | ESR1ESR2NOTUMPDE3BPDE3A | |
| SCHEMBL4297315 | 0.75 | ALDH1A1 (0.52) | PTGS2PTGS1NOTUMHSD17B1HSD17B2 | |
| SCHEMBL31390293 | 0.73 | AKR1C3 (0.41) | PDE3BPDE3ACYP17A1CYP11B1AKR1C3 | |
| SCHEMBL13741967 | 0.71 | CYP17A1 (0.52) | ESR1ESR2PTGS2PTGS1NOTUM | |
| SCHEMBL345490 | 0.71 | KDM1A (0.44) | — | |
| SCHEMBL29365213 | 0.71 | KDM1A (0.44) | — | |
| SCHEMBL505780 | 0.71 | KDM1A (0.48) | KIF11 | |
| SCHEMBL7766400 | 0.70 | CYP11B2 (0.48) | NOTUMCYP17A1CYP11B1CYP11B2HSD17B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109749755-B | Liquid crystal compound and composition for improving environmental adaptability of liquid crystal material | 西安近代化学研究所 | 2022-03-15 | — | — | CN | disclosed |
| CN-106458847-B | Novel diamine synthesis and liquid crystal aligning agent using the same | 东进世美肯株式会社 | 2020-04-24 | — | — | CN | disclosed |