Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.36 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896201 | 0.81 | POLB (0.47) | APLNRTSHRALDH1A1KMT2AMEN1 | |
| SCHEMBL28896648 | 0.80 | TDP1 (0.44) | APLNRTSHRALDH1A1SMN1; SMN2HTT | |
| SCHEMBL30029541 | 0.79 | APLNR (0.40) | APLNRALDH1A1SMN1; SMN2HTTNR1D1 | |
| SCHEMBL28959827 | 0.79 | TSPO (0.39) | TSHRALDH1A1SMN1; SMN2HTTTSPO | |
| SCHEMBL28959828 | 0.78 | ALDH1A1 (0.39) | APLNRTSHRALDH1A1SMN1; SMN2HTT | |
| SCHEMBL17391937 | 0.72 | POLB (0.51) | KMT2AARPOLB | |
| SCHEMBL2177911 | 0.68 | ADRB2 (0.46) | ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL2177900 | 0.68 | ADRB2 (0.46) | ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL30406266 | 0.68 | LTA4H (0.38) | TSHRALDH1A1SMN1; SMN2KMT2ATDP1 | |
| SCHEMBL25439640 | 0.67 | POLB (0.51) | TSHRALDH1A1KMT2AMEN1POLB |
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 |