Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PTGIR | P43119 | 5/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2152374 | 0.91 | ESR1 (0.51) | ESR1ESR2GRIN2BKDM4ELMNA | |
| SCHEMBL19987724 | 0.90 | ESR1 (0.43) | ESR1ESR2PTGIRPTGDRKDM4E | |
| SCHEMBL28515028 | 0.89 | ESR1 (0.43) | ESR1ESR2PTGIRPTGDR | |
| SCHEMBL28517970 | 0.88 | ESR1 (0.40) | ESR1ESR2PTGIRPTGDRALDH1A1 | |
| SCHEMBL28515812 | 0.88 | ESR1 (0.41) | ESR1ESR2ACHEOPRK1GRIN2B | |
| SCHEMBL558091 | 0.84 | AGTR2 (0.41) | ESR1ESR2PTGIRPTGDROPRK1 | |
| SCHEMBL28194894 | 0.83 | NPSR1 (0.47) | OPRK1NPSR1HSD17B10ALDH1A1 | |
| SCHEMBL2158816 | 0.81 | ESR1 (0.41) | ESR1ESR2KDM4ELMNAHSD17B10 | |
| SCHEMBL28514755 | 0.81 | ACHE (0.46) | ESR1ESR2ACHEGRIN2B | |
| SCHEMBL28521626 | 0.79 | ACHE (0.39) | ESR1ESR2ACHEGRIN2B |
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-108503650-B | Dioxane and quinazoline compound or medicinal salt or hydrate thereof and application of dioxane and quinazoline compound or medicinal salt or hydrate thereof as tyrosine kinase inhibitor | 北京赛特明强医药科技有限公司 | 2021-02-12 | — | — | CN | disclosed |