Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.49 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.49 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.49 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28881024 | 0.87 | KIF11 (0.48) | MAPK1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL28346144 | 0.86 | ABCC1 (0.54) | MAPK1CACNA1DLMNAGAAABCC1 | |
| SCHEMBL28342583 | 0.80 | TSHR (0.63) | MAPK1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL28345988 | 0.79 | MEN1 (0.49) | DHFRLMNAGAATSHRHTT | |
| SCHEMBL28346142 | 0.79 | HSD17B10 (0.45) | DHFRLMNAGAAPOLBTSHR | |
| SCHEMBL5351765 | 0.78 | KIF11 (0.77) | MAPK1KIF11GAAPOLBTSHR | |
| SCHEMBL14164085 | 0.77 | DHFR (0.74) | MAPK1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL3026966 | 0.73 | ABCC1 (0.71) | MAPK1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL27509714 | 0.73 | KMT2A (0.50) | CACNA1FCACNA1DCACNA1SCACNA1CDHFR | |
| SCHEMBL11773488 | 0.72 | CACNA1F (0.56) | MAPK1CACNA1FCACNA1DCACNA1SCACNA1C |
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 |