Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 2/20 | 0.64 |
| ▸ | MAOB | P27338 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | TGM2 | P21980 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28712302 | 1.00 | GAA (0.70) | GAAMAOAMAOBALDH1A1HPGD | |
| SCHEMBL5142687 | 0.91 | GAA (0.77) | GAAMAOAMAOBALDH1A1HPGD | |
| SCHEMBL7429227 | 0.84 | GAA (0.73) | GAAMAOAMAOBALDH1A1HPGD | |
| SCHEMBL29893024 | 0.84 | GAA (0.73) | GAAMAOAMAOBALDH1A1HPGD | |
| SCHEMBL3715355 | 0.84 | GAA (0.72) | GAAMAOAMAOBALDH1A1HPGD | |
| SCHEMBL28627031 | 0.84 | GAA (0.72) | GAAMAOAMAOBALDH1A1HPGD | |
| SCHEMBL5472722 | 0.83 | KMT2A (0.63) | GAAMAOAMAOBALDH1A1HPGD | |
| SCHEMBL7827916 | 0.83 | MEN1 (0.68) | GAAMAOAMAOBALDH1A1HPGD | |
| SCHEMBL16010975 | 0.82 | EGFR (0.63) | GAASMN1; SMN2MEN1KMT2AATM | |
| SCHEMBL15145824 | 0.82 | GAA (0.70) | GAAMAOAMAOBALDH1A1HPGD |
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-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-114044742-A | Chiral primary amine malonamide compound and preparation method and application thereof | 河北工业大学 | 2022-02-15 | — | — | CN | disclosed |