Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 3/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4374791 | 1.00 | CPB1 (0.46) | CPB1ALDH1A1GAACTSKCTSL | |
| SCHEMBL20479939 | 1.00 | CPB1 (0.46) | CPB1ALDH1A1GAACTSKCTSL | |
| SCHEMBL2851275 | 0.90 | CPB1 (0.46) | CPB1ALDH1A1GAACTSKCTSL | |
| SCHEMBL2851278 | 0.90 | CPB1 (0.46) | CPB1ALDH1A1GAACTSKCTSL | |
| SCHEMBL18342270 | 0.88 | PDE4B (0.47) | CPB1CTSKCA1CA2ACHE | |
| SCHEMBL20479586 | 0.88 | PDE4B (0.47) | CPB1CTSKCA1CA2ACHE | |
| SCHEMBL20479584 | 0.88 | PDE4B (0.47) | CPB1CTSKCA1CA2ACHE | |
| SCHEMBL2534965 | 0.88 | PDE4B (0.47) | CPB1CTSKCA1CA2ACHE | |
| SCHEMBL4376239 | 0.84 | CTSK (0.48) | CPB1ALDH1A1GAACTSKCTSL | |
| SCHEMBL16667797 | 0.81 | STS (0.48) | CPB1CTSKHSD11B1 |
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-B | 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors | 默沙东公司 | 2021-07-13 | — | — | CN | disclosed |