Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CCR2 | P41597 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896596 | 0.87 | TSHR (0.36) | TSHRALDH1A1GRM1SMN1; SMN2CA12 | |
| SCHEMBL28896239 | 0.74 | TSHR (0.40) | TSHRALDH1A1GRM1SMN1; SMN2CCR2 | |
| SCHEMBL28896342 | 0.74 | ALDH1A1 (0.32) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL28896080 | 0.74 | TSHR (0.37) | TSHRALDH1A1SMN1; SMN2CA12CA1 | |
| SCHEMBL28896501 | 0.73 | KDM4E (0.30) | ALDH1A1HSD17B10 | |
| SCHEMBL28896252 | 0.72 | ALDH1A1 (0.30) | ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL28896642 | 0.71 | — | — | |
| SCHEMBL28896332 | 0.69 | CA12 (0.35) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL28896470 | 0.69 | KDM4E (0.34) | ALDH1A1HSD17B10 | |
| SCHEMBL28896773 | 0.68 | CA12 (0.34) | CA12CA1CA2CA9 |
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 |