Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | TSPO | P30536 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MEP1A | Q16819 | 1/20 | 0.39 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28959828 | 0.82 | ALDH1A1 (0.39) | TDP1ALDH1A1SMN1; SMN2HTTNR1H3 | |
| SCHEMBL28959827 | 0.80 | TSPO (0.39) | TDP1ALDH1A1SMN1; SMN2HTTNR1H3 | |
| SCHEMBL28896533 | 0.80 | APLNR (0.38) | TDP1ALDH1A1SMN1; SMN2HTTNR1H3 | |
| SCHEMBL28896273 | 0.75 | NR1H3 (0.48) | TDP1ALDH1A1SMN1; SMN2HTTNR1H3 | |
| SCHEMBL31392330 | 0.74 | APLNR (0.45) | ALDH1A1SMN1; SMN2HTTAPLNR | |
| SCHEMBL25225718 | 0.72 | POLB (0.48) | ALDH1A1SMN1; SMN2HTTLDHAAPLNR | |
| SCHEMBL25241112 | 0.72 | POLB (0.48) | ALDH1A1SMN1; SMN2HTTLDHAAPLNR | |
| SCHEMBL4708637 | 0.72 | LDHA (0.56) | SMN1; SMN2HTTLDHATSHR | |
| SCHEMBL14830786 | 0.71 | NPC1 (0.41) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| Acetic Acid SCHEMBL23429845 | 0.71 | HRH3 (0.56) | ALDH1A1SMN1; SMN2HTTTSPOLDHA |
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 |