Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.66 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | OGT | O15294 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL28116025 | 0.90 | BCHE (0.54) | BCHEABCG2ABCB1PTGS2CA12 | |
| SCHEMBL29158504 | 0.87 | BCHE (0.51) | BCHEABCG2ABCB1PTGS2CA12 | |
| SCHEMBL28264474 | 0.86 | KEAP1 (0.50) | BCHEABCG2ABCB1PTGS2CA12 | |
| SCHEMBL28522923 | 0.79 | BCHE (0.66) | BCHEABCG2ABCB1PTGS2CA12 | |
| SCHEMBL28037853 | 0.79 | FLT3 (0.67) | BCHEABCG2ABCB1PTGS2CA12 | |
| SCHEMBL28046686 | 0.79 | BCHE (1.00) | BCHEABCG2ABCB1PTGS2CA12 | |
| SCHEMBL28264486 | 0.78 | KCNN4 (0.45) | BCHEPTGS2CA1CA2CA5A | |
| SCHEMBL30987381 | 0.77 | BCHE (0.62) | BCHEABCG2ABCB1PTGS2CA12 | |
| SCHEMBL17002383 | 0.77 | BCHE (0.62) | BCHEABCG2ABCB1PTGS2CA12 | |
| SCHEMBL19857596 | 0.76 | CA1 (0.62) | BCHEABCG2ABCB1PTGS2CA12 |
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-106117154-B | A kind of neighbour's aryloxy group -1,4- diaryl -1,2,3- triazole derivatives and its preparation method and application | 昆明理工大学 | 2018-12-14 | — | — | CN | disclosed |
| CN-106117154-A | A kind of adjacent aryloxy group 1,4 diaryl 1,2,3 triazole derivatives and its preparation method and application | 昆明理工大学 | 2016-11-16 | — | — | CN | disclosed |