Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28345988 | 0.88 | MEN1 (0.49) | HSD17B10DHFRCA12CA1CA2 | |
| SCHEMBL28346144 | 0.88 | ABCC1 (0.54) | HSD17B10CA12CA1CA2CA7 | |
| SCHEMBL28349893 | 0.88 | SMN1; SMN2 (0.46) | MAPTLMNASMN1; SMN2GAAMEN1 | |
| SCHEMBL28881024 | 0.86 | KIF11 (0.48) | DHFRALDH1A1MAPTLMNAHTT | |
| SCHEMBL28345331 | 0.79 | MAPK1 (0.51) | DHFRALDH1A1MAPTLMNAHTT | |
| SCHEMBL28342583 | 0.76 | TSHR (0.63) | HSD17B10DHFRCA1CA2ALDH1A1 | |
| SCHEMBL28490632 | 0.76 | HSD17B10 (0.73) | HSD17B10CA12CA1CA2CA7 | |
| SCHEMBL27766887 | 0.76 | HSD17B10 (0.38) | HSD17B10DHFRCA12CA1CA2 | |
| SCHEMBL28350092 | 0.75 | ALDH1A1 (0.48) | HSD17B10CA1CA2ALDH1A1MAPT | |
| SCHEMBL28562281 | 0.75 | DHFR (0.77) | DHFRCA12CA1CA2CA7 |
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 |