Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | OGT | O15294 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28326473 | 0.84 | PTGS2 (0.45) | BCHENOTUMCA12CA1CA2 | |
| SCHEMBL16294830 | 0.82 | BCHE (0.61) | BCHECA12CA1CA2CA9 | |
| SCHEMBL28661839 | 0.81 | BCHE (0.65) | BCHENOTUMCA12CA1CA2 | |
| SCHEMBL28645167 | 0.78 | BCHE (0.69) | BCHENOTUMCA12CA1CA2 | |
| SCHEMBL28326470 | 0.76 | BCHE (0.57) | BCHENOTUMCA12CA1CA2 | |
| SCHEMBL28644691 | 0.75 | BCHE (0.56) | BCHENOTUMCA12CA9PTGS2 | |
| SCHEMBL28327756 | 0.75 | BCHE (0.56) | BCHENOTUMCYP19A1OGTLMNA | |
| SCHEMBL28650367 | 0.75 | BCHE (0.52) | BCHENOTUMCA12CA9FLT3 | |
| SCHEMBL28046686 | 0.73 | BCHE (1.00) | BCHENOTUMCA12CA1CA2 | |
| SCHEMBL28647456 | 0.72 | NOTUM (0.55) | BCHENOTUMFLT3GSK3B |
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 |