Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.48 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.48 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 2/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28469494 | 0.91 | PTGS1 (0.51) | APPMAPTHDAC1HDAC8GRIK1 | |
| SCHEMBL7649080 | 0.85 | PTGS1 (0.49) | APPMAPTHDAC1HDAC8GRIK1 | |
| SCHEMBL9997162 | 0.85 | PTGS1 (0.49) | APPMAPTHDAC1HDAC8GRIK1 | |
| SCHEMBL28469496 | 0.84 | RELA (0.51) | APPMAPTHDAC1HDAC8GRIK1 | |
| SCHEMBL28463082 | 0.82 | CYP3A4 (0.54) | MAPTHDAC1HDAC8 | |
| SCHEMBL1158016 | 0.82 | MMP1 (0.51) | — | |
| SCHEMBL1158019 | 0.82 | MMP1 (0.51) | — | |
| SCHEMBL28706860 | 0.80 | GRIK1 (0.54) | MAPTGRIK1GRIK2 | |
| SCHEMBL28812360 | 0.79 | TUBB1 (0.44) | APPMAPTHDAC1HDAC8PTGS1 | |
| SCHEMBL3292230 | 0.79 | GSK3B (0.58) | MAPTHDAC1HDAC8GRIK1GRIK2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115108938-B | Chiral alpha-substituted deuterated amino acid compound and preparation method thereof | 武汉大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-114736108-B | Allyl carbonyl enol compound and synthesis method thereof | 同济大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-115108938-A | Chiral alpha-substituted deuterated amino acid compound and preparation method thereof | 武汉大学 | 2022-09-27 | — | — | CN | disclosed |
| CN-114736108-A | Allyl carbonyl enol compound and synthetic method thereof | 同济大学 | 2022-07-12 | — | — | CN | disclosed |
| CN-114105822-A | Pseudo C2Symmetrical chiral diallyl substituted compound and preparation method and application thereof | 武汉大学 | 2022-03-01 | — | — | CN | disclosed |
| CN-113861075-A | Chiral diallyl substituted compound with three continuous chiral centers and preparation method and application thereof | 武汉大学 | 2021-12-31 | — | — | CN | disclosed |
| CN-112279770-A | Chiral alpha-polysubstituted-alpha-fluorine-containing homoallylamine compound, and preparation method and application thereof | 武汉大学 | 2021-01-29 | — | — | CN | disclosed |