Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28345331 | 0.87 | MAPK1 (0.51) | KIF11DHFRPOLBCACNA1BMAPK1 | |
| SCHEMBL28346142 | 0.86 | HSD17B10 (0.45) | DHFRPOLBMAPTGAAALDH1A1 | |
| SCHEMBL28346144 | 0.79 | ABCC1 (0.54) | MAPK1TP53CACNA1DGAAALDH1A1 | |
| SCHEMBL28345988 | 0.79 | MEN1 (0.49) | DHFRMAPTGAAALDH1A1LMNA | |
| SCHEMBL5352781 | 0.78 | KIF11 (0.77) | KIF11MAPK1GAAALDH1A1SMN1; SMN2 | |
| SCHEMBL28342583 | 0.75 | TSHR (0.63) | DHFRPOLBMAPK1TP53MAPT | |
| SCHEMBL28349893 | 0.74 | SMN1; SMN2 (0.46) | TP53MAPTGAALMNASMN1; SMN2 | |
| SCHEMBL3032551 | 0.73 | CACNA1F (0.66) | POLBCACNA1BMAPK1MAPTCACNA1F | |
| SCHEMBL27509714 | 0.73 | KMT2A (0.50) | DHFRPOLBMAPTCACNA1FCACNA1D | |
| SCHEMBL14413510 | 0.73 | POLB (0.77) | POLBMAPTGAAALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108129398-B | Synthesis method of 4-halogenated phenyl-5-ethoxycarbonyl-6-methyl-3, 4-dihydropyrimidine-2 (1H) -ketone | 大连大学 | 2020-01-17 | — | — | CN | disclosed |