Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896742 | 0.88 | KDM4E (0.42) | ATRALDH1A1KDM4EHSD17B10GAA | |
| SCHEMBL5432376 | 0.80 | ATR (0.41) | ATRALDH1A1KDM4EHSD17B10MAPT | |
| SCHEMBL4699939 | 0.75 | ATR (0.39) | ATRALDH1A1MAPTNPSR1LMNA | |
| SCHEMBL28896549 | 0.72 | KDM4E (0.40) | ATRALDH1A1KDM4EHSD17B10GAA | |
| SCHEMBL29991677 | 0.72 | ATR (0.47) | ATRALDH1A1KDM4EGAAMEN1 | |
| SCHEMBL27969574 | 0.71 | CNR2 (0.51) | ATRALDH1A1POLBLMNARAB9A | |
| SCHEMBL28896192 | 0.70 | KDM4E (0.39) | ATRALDH1A1KDM4EHSD17B10GAA | |
| SCHEMBL4395627 | 0.70 | ALDH1A1 (0.44) | ATRALDH1A1KDM4EHSD17B10GAA | |
| SCHEMBL28184008 | 0.70 | ATR (0.48) | ATRALDH1A1KDM4EHSD17B10GAA | |
| SCHEMBL729159 | 0.70 | ATR (0.42) | ATRALDH1A1KDM4EGAAMAPT |
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 |