Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 2/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 7/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.55 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA5A | P35218 | 3/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28964572 | 1.00 | MIF (0.56) | MIFKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL29158482 | 0.86 | PTGS2 (0.65) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL21814340 | 0.86 | KEAP1 (0.73) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL14152110 | 0.85 | HSD17B1 (0.71) | MIFHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL23557761 | 0.84 | KEAP1 (0.77) | MIFKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL19757167 | 0.82 | KEAP1 (0.48) | MIFKEAP1NFE2L2HSD17B1HSD17B2 | |
| SCHEMBL22897927 | 0.80 | CA1 (0.54) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL29272648 | 0.79 | KEAP1 (0.64) | KEAP1NFE2L2CA1CA2CA5A | |
| SCHEMBL28337877 | 0.78 | KEAP1 (0.50) | MIFKEAP1NFE2L2 | |
| SCHEMBL18031100 | 0.78 | PTGS2 (0.63) | MIFHSD17B1HSD17B2CA1CA2 |
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-110437220-B | Triazole compound and application thereof | 暨南大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-110437220-A | Triazole compound and its application | UNIV JINAN | 2019-11-12 | — | — | CN | disclosed |