Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 5/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 5/20 | 0.43 |
| ▸ | TLR4 | O00206 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398912 | 0.87 | CTSL (0.54) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL376598 | 0.81 | ALDH1A1 (0.53) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL21802063 | 0.81 | ALDH1A1 (0.53) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL29083371 | 0.81 | ALDH1A1 (0.53) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL15265196 | 0.81 | ALDH1A1 (0.53) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL146868 | 0.81 | ALDH1A1 (0.52) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL143840 | 0.78 | ABCB1 (0.50) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL20480178 | 0.78 | ABCB1 (0.50) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL18342378 | 0.78 | ABCB1 (0.50) | ALDH1A1GAACTSLCTSBCTSK | |
| SCHEMBL19942968 | 0.78 | ABCB1 (0.50) | ALDH1A1GAACTSLCTSBCTSK |
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-107922394-A | 3 tetrazole radical benzene, 1,2 disulfonic acid amide derivative as metal beta lactamase restrainer | 默沙东公司 | 2018-04-17 | — | — | CN | disclosed |