Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.33 |
| ▸ | LMNA | P02545 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29211256 | 0.82 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2HTTKMT2ALMNA | |
| SCHEMBL28896292 | 0.80 | AAK1 (0.32) | — | |
| SCHEMBL28896617 | 0.79 | KMT2A (0.34) | ALDH1A1SMN1; SMN2KMT2ALMNAMAPT | |
| SCHEMBL29211251 | 0.77 | SMN1; SMN2 (0.36) | ALDH1A1SMN1; SMN2HTTKMT2ALMNA | |
| SCHEMBL28896534 | 0.76 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HTTKMT2AMAPT | |
| SCHEMBL28896301 | 0.73 | HTT (0.40) | ALDH1A1SMN1; SMN2HTTKMT2ALMNA | |
| SCHEMBL28896489 | 0.71 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2HTTKMT2ALMNA | |
| SCHEMBL28896560 | 0.71 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2HTTKMT2AMAPT | |
| SCHEMBL28896253 | 0.69 | NUDT1 (0.38) | ALDH1A1SMN1; SMN2KMT2ALMNAMAPT | |
| SCHEMBL28896669 | 0.68 | HTT (0.37) | ALDH1A1SMN1; SMN2HTTKMT2ALMNA |
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-115403584-B | 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115403584-A | 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-29 | — | — | CN | disclosed |