Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1754083 | 0.79 | ACHE (0.54) | MAPTCYP3A4ACHECA9PTGS2 | |
| SCHEMBL30881089 | 0.77 | CA2 (0.45) | CYP3A4ACHECA9ALDH1A1MEN1 | |
| SCHEMBL29209166 | 0.77 | CA2 (0.45) | CYP3A4ACHECA9ALDH1A1MEN1 | |
| SCHEMBL20997311 | 0.76 | ACHE (0.50) | MAPTCYP3A4ACHECA9PTGS2 | |
| SCHEMBL5300782 | 0.76 | ACHE (0.50) | MAPTCYP3A4ACHECA9PTGS2 | |
| SCHEMBL9126387 | 0.76 | ACHE (0.50) | MAPTCYP3A4ACHECA9PTGS2 | |
| SCHEMBL30730699 | 0.74 | CYP3A4 (0.47) | MAPTCYP3A4ACHECA9PTGS2 | |
| SCHEMBL27548119 | 0.74 | ACHE (0.43) | MAPTCYP3A4ACHECA9PTGS2 | |
| SCHEMBL12121971 | 0.72 | PTGS2 (0.52) | MAPTCYP3A4ACHECA9PTGS2 | |
| SCHEMBL29035957 | 0.72 | MAPT (0.45) | MAPTCYP3A4ACHECA9ALDH1A1 |
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-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 |