Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 10/20 | 0.51 |
| ▸ | NFE2L2 | Q16236 | 10/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.45 |
| ▸ | FLT3 | P36888 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29657699 | 0.81 | P2RX7 (0.58) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL29158482 | 0.76 | PTGS2 (0.65) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL28319779 | 0.74 | KEAP1 (0.52) | KEAP1NFE2L2FLT3 | |
| SCHEMBL21814340 | 0.73 | KEAP1 (0.73) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL29158522 | 0.71 | CA1 (0.68) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL19757166 | 0.71 | KEAP1 (0.49) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL28319782 | 0.70 | FLT3 (0.60) | CA1CA2CA5ACA5BFLT3 | |
| SCHEMBL29272648 | 0.70 | KEAP1 (0.64) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL27933358 | 0.70 | KEAP1 (0.77) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL28937436 | 0.69 | FLT3 (0.58) | CA1CA2CA5ACA5BFLT3 |
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-106588787-B | A kind of application of the triazole of 1,2,3- containing sweet-smelling formacyl ligand | 昆明理工大学 | 2019-09-27 | — | — | CN | disclosed |