Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CD38 | P28907 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL7163549 | 0.81 | PARP1 (0.40) | PARP1PDK2AURKAKEAP1NFE2L2 | |
| SCHEMBL3422877 | 0.80 | PARP1 (0.41) | PARP1AURKALMNACD38CYP3A4 | |
| SCHEMBL3421071 | 0.78 | PARP1 (0.40) | PARP1AURKALMNAKEAP1NFE2L2 | |
| SCHEMBL18398143 | 0.78 | JAK2 (0.31) | SCN9A | |
| SCHEMBL18398127 | 0.78 | PARP1 (0.34) | PARP1 | |
| SCHEMBL29543435 | 0.78 | PARP1 (0.41) | PARP1PDK2SCN9AAURKAKEAP1 | |
| SCHEMBL15904410 | 0.77 | CTNNB1 (0.48) | PARP1PDK2SCN9AAURKARPS6KB1 | |
| SCHEMBL18398075 | 0.77 | PARP1 (0.35) | PARP1LMNAGAA | |
| SCHEMBL8132468 | 0.77 | PARP1 (0.47) | PARP1PDK2SCN9AAURKARPS6KB1 | |
| SCHEMBL3419413 | 0.76 | PARP1 (0.44) | PARP1AURKARPS6KB1KEAP1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3994138-A1 | ESTROGEN-RELATED RECEPTOR ALPHA (ERRalpha) MODULATORS | Lead Pharma Holding B.V. (NL) | 2022-05-11 | — | — | EP | claimed |