Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.64 |
| ▸ | MMP12 | P39900 | 1/20 | 0.63 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.56 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5598977 | 0.98 | KEAP1 (0.67) | KEAP1MMP12HDAC2HDAC8HDAC6 | |
| SCHEMBL1532408 | 0.89 | MMP12 (0.79) | KEAP1MMP12HDAC2HDAC8HDAC6 | |
| SCHEMBL497371 | 0.88 | KEAP1 (0.73) | KEAP1MMP12HDAC2HDAC8HDAC6 | |
| SCHEMBL13311578 | 0.88 | TRPV1 (0.64) | KEAP1MMP12HDAC2HDAC8HDAC6 | |
| SCHEMBL9404043 | 0.88 | ALDH1A1 (0.57) | KEAP1MMP12HDAC2HDAC8HDAC6 | |
| SCHEMBL107423 | 0.86 | KEAP1 (0.70) | KEAP1MMP12HDAC2HDAC8HDAC6 | |
| SCHEMBL712597 | 0.86 | KEAP1 (0.70) | KEAP1MMP12HDAC2HDAC8HDAC6 | |
| SCHEMBL2206622 | 0.85 | ALDH1A1 (0.70) | KEAP1MMP12HDAC2HDAC8HDAC6 | |
| SCHEMBL10560724 | 0.85 | MMP12 (0.58) | KEAP1MMP12HDAC2HDAC8HDAC6 | |
| SCHEMBL27851418 | 0.85 | MMP12 (0.58) | KEAP1MMP12HDAC2HDAC8HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473467-A | Cocrystal, process for producing the same, and pharmaceutical containing the cocrystal | 武田药品工业株式会社 | 2018-08-31 | — | — | CN | disclosed |
| CN-1143668-C | Ascorbyl-phosphoryl-cholesterol | �Ʒ� | 2004-03-31 | — | — | CN | disclosed |
| CN-1255053-A | Ascorbyl-phosphoryl-cholesterol | AVON PROD INC (US) | 2000-05-31 | — | — | CN | disclosed |