Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL56600 | 0.97 | — | — | |
| Zinc Chloride SCHEMBL27752365 | 0.87 | CES2 (0.34) | CES2CES1NFE2L2ALDH1A1HTT | |
| SCHEMBL3805767 | 0.77 | — | — | |
| SCHEMBL28048232 | 0.77 | — | — | |
| SCHEMBL6296173 | 0.76 | CYP17A1 (0.47) | CES2CES1NOTUM | |
| SCHEMBL8614617 | 0.72 | — | — | |
| SCHEMBL518461 | 0.72 | — | — | |
| SCHEMBL98421 | 0.72 | — | — | |
| SCHEMBL1376758 | 0.72 | — | — | |
| SCHEMBL1521849 | 0.72 | — | — |
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-105008344-A | Bruton's tyrosine kinase inhibitors | PFIZER | 2015-10-28 | — | — | CN | disclosed |