Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.58 |
| ▸ | STAT3 | P40763 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | FOS | P01100 | 1/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | JUN | P05412 | 1/20 | 0.51 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29209157 | 1.00 | LDHA (0.64) | LDHACA2ALOX15ALOX12STAT3 | |
| SCHEMBL31572667 | 0.85 | LDHA (0.64) | LDHACA2ALOX15ALOX12STAT3 | |
| SCHEMBL4599982 | 0.85 | LDHA (0.64) | LDHACA2ALOX15ALOX12STAT3 | |
| SCHEMBL4598863 | 0.85 | LDHA (0.64) | LDHACA2ALOX15ALOX12STAT3 | |
| SCHEMBL4598867 | 0.85 | LDHA (0.64) | LDHACA2ALOX15ALOX12STAT3 | |
| SCHEMBL7929029 | 0.85 | LDHA (0.59) | LDHACA2ALOX15ALOX12STAT3 | |
| SCHEMBL3469321 | 0.85 | LDHA (0.59) | LDHACA2ALOX15ALOX12STAT3 | |
| SCHEMBL7940491 | 0.85 | LDHA (0.59) | LDHACA2ALOX15ALOX12STAT3 | |
| SCHEMBL11211185 | 0.84 | LDHA (0.58) | LDHACA2ALOX15ALOX12STAT3 | |
| SCHEMBL5147073 | 0.83 | LDHA (0.57) | LDHACA2ALOX15ALOX12STAT3 |
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-115073353-B | Lignan derivative, preparation method thereof, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-05-14 | — | — | CN | disclosed |
| CN-115073353-A | Lignan derivative and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-09-20 | — | — | CN | disclosed |