Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.42 |
| ▸ | LGALS3 | P17931 | 3/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD4 | P21917 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | LGALS1 | P09382 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | 0.83 | BCHE (0.65) | BCHENOTUMMIFABCB1ABCG2 | |
| SCHEMBL28644691 | 0.80 | BCHE (0.56) | BCHENOTUMMIFABCB1ABCG2 | |
| SCHEMBL28645168 | 0.78 | BCHE (0.51) | BCHENOTUMMIFABCB1ABCG2 | |
| SCHEMBL28645410 | 0.78 | BCHE (0.51) | BCHENOTUMMIFABCB1ABCG2 | |
| SCHEMBL28927757 | 0.78 | BCHE (0.51) | BCHENOTUMMIFABCB1ABCG2 | |
| SCHEMBL28639808 | 0.77 | NOTUM (0.43) | BCHENOTUMLGALS3FLT3GSK3B | |
| SCHEMBL28642690 | 0.76 | MIF (0.56) | BCHEMIFABCB1ABCG2DRD2 | |
| SCHEMBL28650367 | 0.76 | BCHE (0.52) | BCHENOTUMABCB1ABCG2AURKA | |
| SCHEMBL28647456 | 0.74 | NOTUM (0.55) | BCHENOTUMFLT3GSK3B | |
| SCHEMBL28664381 | 0.74 | FLT3 (0.65) | BCHENOTUMMIFFLT3GSK3B |
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 |