Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 13/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22820237 | 0.83 | ABL1 (0.43) | ABL1NISCHGRM5 | |
| SCHEMBL27909891 | 0.79 | CA1 (0.50) | ABL1NISCH | |
| SCHEMBL27532773 | 0.79 | ESR2 (0.47) | GAAHSD17B1HSD17B2ABL1NISCH | |
| SCHEMBL26465507 | 0.79 | GAA (0.44) | GAAALDH1A1HSD17B1HSD17B2ABL1 | |
| SCHEMBL10094630 | 0.75 | ACHE (0.50) | ABL1NISCH | |
| SCHEMBL27658836 | 0.75 | ALDH1A1 (0.44) | GAAALDH1A1HSD17B1HSD17B2 | |
| SCHEMBL3750244 | 0.74 | ABL1 (0.51) | ABL1NISCHGRM5 | |
| SCHEMBL10094674 | 0.74 | ACHE (0.54) | ABL1NISCH | |
| SCHEMBL30377758 | 0.73 | NISCH (0.52) | ABL1NISCHSLC9A1 | |
| SCHEMBL9139591 | 0.73 | NISCH (0.52) | ABL1NISCHSLC9A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018114965-A1 | CLPX INHIBITORY COMPOUNDS FOR THE TREATMENT OF MULTI RESISTANT STAPHYLOCOCCUS AUREUS VIRULENCE AND FOR THE TREATMENT OF LEUKEMIA | Technische Universität München (DE) | 2018-06-28 | — | — | WO | disclosed |