Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.46 |
| ▸ | LDHA | P00338 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | TEK | Q02763 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL28661839 | 0.86 | BCHE (0.65) | BCHECA12CA9NOTUMLDHA | |
| SCHEMBL28664377 | 0.86 | BCHE (0.48) | BCHEKEAP1NFE2L2NOTUMLDHA | |
| SCHEMBL28661942 | 0.86 | CA2 (0.49) | BCHEKEAP1NFE2L2FLT3GSK3B | |
| SCHEMBL28653154 | 0.86 | BCHE (0.48) | BCHECA12CA9NOTUMLDHA | |
| SCHEMBL28644691 | 0.85 | BCHE (0.56) | BCHEFLT3GSK3BCA12CA9 | |
| SCHEMBL28327756 | 0.84 | BCHE (0.56) | BCHEKEAP1NFE2L2FLT3GSK3B | |
| SCHEMBL28326470 | 0.83 | BCHE (0.57) | BCHEKEAP1NFE2L2FLT3GSK3B | |
| SCHEMBL28642690 | 0.79 | MIF (0.56) | BCHEKDRTEKABCB1ABCG2 | |
| SCHEMBL28645168 | 0.78 | BCHE (0.51) | BCHEFLT3GSK3BNOTUMLDHA | |
| SCHEMBL28927757 | 0.78 | BCHE (0.51) | BCHEFLT3CA12CA9NOTUM |
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-110423239-B | 1, 3-oxazine 1,2, 3-triazole derivative and synthetic method and application thereof | 昆明理工大学 | 2021-10-26 | — | — | CN | claimed |
| CN-110423239-B | 1, 3-oxazine 1,2, 3-triazole derivative and synthetic method and application thereof | 昆明理工大学 | 2021-10-26 | — | — | CN | disclosed |