Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28850362 | 1.00 | CNR1 (0.51) | CNR1GPR55ALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL28877365 | 0.87 | USP2 (0.56) | CNR1GPR55ALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL28850379 | 0.86 | ALDH1A1 (0.69) | ALDH1A1CYP2C19CYP3A4CYP2C9NPSR1 | |
| SCHEMBL28850377 | 0.86 | ALDH1A1 (0.69) | ALDH1A1CYP2C19CYP3A4CYP2C9NPSR1 | |
| SCHEMBL28850351 | 0.83 | ALDH1A1 (0.48) | ALDH1A1NPSR1MAPTTP53LMNA | |
| SCHEMBL28850352 | 0.83 | ALDH1A1 (0.48) | ALDH1A1NPSR1MAPTTP53LMNA | |
| SCHEMBL28850523 | 0.82 | ALDH1A1 (0.45) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28850524 | 0.82 | ALDH1A1 (0.45) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28850424 | 0.82 | ALDH1A1 (0.52) | ALDH1A1POLBUSP2MAPK1L3MBTL1 | |
| SCHEMBL28850422 | 0.82 | ALDH1A1 (0.52) | ALDH1A1POLBUSP2MAPK1L3MBTL1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116143840-B | Phosphono deazapurine derivative and preparation method and application thereof | 浙江工业大学 | 2024-10-18 | — | — | CN | disclosed |
| CN-116120300-B | Pyrimidine compound containing hydroxamic acid fragment, and preparation method and application thereof | 贵州大学 | 2024-10-15 | — | — | CN | disclosed |
| CN-117886798-A | Substituted benzimidazoles and use thereof | 河南中医药大学 | 2024-04-16 | — | — | CN | disclosed |
| CN-117567225-A | Method for preparing dicarboxylic acid compound from olefin | 徐州医科大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-117551004-A | Synthesis method of amino acid and amino alcohol compound | 四川大学 | 2024-02-13 | — | — | CN | disclosed |
| CN-117384136-A | NO donor type antifungal compound and preparation method and application thereof | 中国药科大学 | 2024-01-12 | — | — | CN | disclosed |
| CN-117209375-A | Preparation method of polysubstituted chiral adipic acid compound containing quaternary carbon center | 四川大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-117209374-A | Hydroxyl valeric acid compound containing quaternary carbon center and synthesis method thereof | 四川大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-112759551-B | 2, 5-substituent 1H-imidazole-4-carboxylate compound and synthetic purification method thereof | 宝鸡文理学院 | 2023-10-27 | — | — | CN | disclosed |
| CN-116514817-A | Heterocyclic compound with AKT kinase inhibition activity, preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-115073383-B | Synthesis method of aryl acetic acid compound | 四川大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-116217458-A | 2-carbonyl-5-phenylpyrrole compound, preparation method, application and derivative thereof, and pharmaceutical composition | 湖北民族大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-116143840-A | Phosphono deazapurine derivative and preparation method and application thereof | 浙江工业大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-115835860-A | Novel analogues of pterostilbene amino acids with carbonate for the treatment of non-alcoholic fatty liver disease and non-alcoholic steatohepatitis | 树顶分子生技股份有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-113444005-B | Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin | 四川大学 | 2023-03-03 | — | — | CN | disclosed |
| CN-109311813-B | Palladium-catalyzed meta-C-H functionalized universal ligands | 斯克利普斯研究院 | 2023-02-28 | — | — | CN | disclosed |
| CN-115141135-A | Preparation method of oxindole-acetic acid compound containing 3-bit chiral quaternary carbon center | 四川大学 | 2022-10-04 | — | — | CN | disclosed |