Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.51 |
| ▸ | CTSS | P25774 | 4/20 | 0.51 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL28598937 | 1.00 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL29839237 | 0.88 | CTSK (0.51) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL4089409 | 0.87 | CTSK (0.50) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL31344398 | 0.87 | CTSK (0.50) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL31477442 | 0.87 | CTSK (0.50) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL16343127 | 0.87 | CTSK (0.50) | CTSKCTSSGABRB1GABRB2MAPT | |
| SCHEMBL21323896 | 0.85 | TRPA1 (0.44) | CTSKCTSSMAPTPPARAPPARG | |
| SCHEMBL20215949 | 0.85 | TRPA1 (0.44) | CTSKCTSSMAPTPPARAPPARG | |
| SCHEMBL1699081 | 0.85 | TRPA1 (0.44) | CTSKCTSSMAPTPPARAPPARG | |
| SCHEMBL27033158 | 0.85 | TRPA1 (0.44) | CTSKCTSSMAPTPPARAPPARG |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114044742-B | Chiral primary amine malonamide compound and preparation method and application thereof | 河北工业大学 | 2023-02-10 | — | — | CN | claimed |
| CN-114044742-A | Chiral primary amine malonamide compound and preparation method and application thereof | 河北工业大学 | 2022-02-15 | — | — | CN | claimed |
| CN-114044742-B | Chiral primary amine malonamide compound and preparation method and application thereof | 河北工业大学 | 2023-02-10 | — | — | CN | disclosed |
| CN-113480524-B | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-114044742-A | Chiral primary amine malonamide compound and preparation method and application thereof | 河北工业大学 | 2022-02-15 | — | — | CN | disclosed |