Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.60 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 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 | |
|---|---|---|---|---|
| SCHEMBL23557635 | 0.88 | MIF (0.54) | BCHETRPV1ABCG2ABCB1LDHA | |
| SCHEMBL23557743 | 0.80 | STS (0.73) | BCHETRPV1ABCG2STSCA1 | |
| SCHEMBL18668499 | 0.78 | BCHE (0.56) | BCHEABCG2ABCB1LDHACA1 | |
| SCHEMBL18377889 | 0.78 | NOTUM (0.52) | TRPV1LMNAAPPAMY1A | |
| SCHEMBL28046686 | 0.76 | BCHE (1.00) | BCHEABCG2ABCB1LDHACA1 | |
| SCHEMBL28116020 | 0.76 | BCHE (0.66) | BCHEABCG2ABCB1LDHACA1 | |
| SCHEMBL28037853 | 0.76 | FLT3 (0.67) | BCHEABCG2ABCB1LDHACA1 | |
| SCHEMBL28522923 | 0.76 | BCHE (0.66) | BCHEABCG2ABCB1LDHACA1 | |
| SCHEMBL18367585 | 0.75 | TRPV1 (0.49) | TRPV1CA1CA2CA12CA9 | |
| SCHEMBL22702132 | 0.74 | TRPV1 (0.48) | TRPV1CA1CA2CA5ACA5B |
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-106588788-B | The method of one pot of two-step method synthesis 1,2,3- triazole compound | 河南师范大学 | 2019-07-16 | — | — | CN | disclosed |