Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | CA5A | P35218 | 3/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28116020 | 0.90 | BCHE (0.66) | BCHEABCG2MIFABCB1CA1 | |
| SCHEMBL29158504 | 0.88 | BCHE (0.51) | BCHEABCG2MIFABCB1CA1 | |
| SCHEMBL28264474 | 0.83 | KEAP1 (0.50) | BCHEABCG2ABCB1HSD17B1HSD17B2 | |
| SCHEMBL28645168 | 0.81 | BCHE (0.51) | BCHEABCG2MIFABCB1HSD17B1 | |
| SCHEMBL12420387 | 0.80 | HSD17B1 (0.56) | BCHEHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL27007716 | 0.78 | CA1 (0.58) | HSD17B1HSD17B2CA1CA2PTGS2 | |
| SCHEMBL28309883 | 0.77 | CA2 (0.61) | BCHEMIFHSD17B1HSD17B2CA1 | |
| SCHEMBL27007952 | 0.75 | FLT3 (0.42) | BCHEABCG2MIFABCB1HSD17B1 | |
| SCHEMBL28264486 | 0.75 | KCNN4 (0.45) | BCHECA1CA2PTGS2CA5A | |
| SCHEMBL28115677 | 0.74 | CA12 (0.41) | BCHECA1CA2PTGS2CA12 |
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-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 |