Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GPR3 | P46089 | 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 | |
|---|---|---|---|---|
| SCHEMBL25273770 | 1.00 | BACE1 (0.38) | BACE1RPS6KA3KCNQ3KCNQ2ALDH1A1 | |
| SCHEMBL4603480 | 0.89 | BACE1 (0.42) | BACE1RPS6KA3KCNQ3KCNQ2ALDH1A1 | |
| Methane SCHEMBL27625982 | 0.85 | BACE1 (0.39) | BACE1RPS6KA3KCNQ3KCNQ2ALDH1A1 | |
| SCHEMBL25221380 | 0.85 | BACE1 (0.39) | BACE1RPS6KA3KCNQ3KCNQ2ALDH1A1 | |
| Methylene Chloride SCHEMBL27625980 | 0.82 | BACE1 (0.37) | BACE1RPS6KA3KCNQ3KCNQ2HPGD | |
| SCHEMBL7710900 | 0.81 | CTSL (0.45) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL25227492 | 0.81 | GPR3 (0.35) | KCNQ3KCNQ2ALDH1A1PTPRCPTPN1 | |
| SCHEMBL11454322 | 0.80 | RPS6KA3 (0.36) | BACE1RPS6KA3ALDH1A1HSD17B10HPGD | |
| SCHEMBL20319836 | 0.79 | MEN1 (0.39) | KCNQ3KCNQ2ALDH1A1MAPK1ALOX5AP | |
| SCHEMBL25273226 | 0.78 | MAOA (0.39) | KCNQ3KCNQ2ALDH1A1MEN1KMT2A |
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-115772410-A | Liquid crystal composition with high polarization anchoring energy and application thereof | 晶美晟光电材料（南京）有限公司 | 2023-03-10 | — | — | CN | disclosed |