Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 2/20 | 0.40 |
| ▸ | CASR | P41180 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25439640 | 0.85 | POLB (0.51) | POLBNPC1ALDH1A1TSHRCYP2D6 | |
| SCHEMBL30029541 | 0.85 | APLNR (0.40) | POLBNPC1ALDH1A1APLNRMAPT | |
| SCHEMBL28896533 | 0.81 | APLNR (0.38) | POLBALDH1A1TSHRAPLNRMAPK1 | |
| SCHEMBL14538694 | 0.79 | CA1 (0.59) | ALDH1A1TSHRCASRCA1CA2 | |
| SCHEMBL30950123 | 0.79 | CA1 (0.59) | ALDH1A1TSHRCASRCA1CA2 | |
| SCHEMBL7955616 | 0.79 | CA1 (0.59) | ALDH1A1TSHRCASRCA1CA2 | |
| SCHEMBL25869701 | 0.76 | POLB (0.53) | POLBNPC1ALDH1A1TSHRAPLNR | |
| SCHEMBL28896815 | 0.76 | POLB (0.50) | POLBNPC1ALDH1A1TSHRAPLNR | |
| SCHEMBL21647830 | 0.76 | CA1 (0.49) | ALDH1A1TSHRCASRCA1CA2 | |
| SCHEMBL8183423 | 0.76 | CA1 (0.49) | ALDH1A1TSHRCASRCA1CA2 |
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 |