Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.41 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30434293 | 1.00 | CYP2C9 (0.45) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL40864 | 0.77 | KDM4E (0.46) | CYP2A6GBA1KMT2ACCR1CCR5 | |
| SCHEMBL1725165 | 0.77 | CYP2E1 (0.51) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL13430081 | 0.73 | KDM4E (0.40) | CYP2C19GBA1CCR1CCR5CCR8 | |
| SCHEMBL2147232 | 0.72 | KMT2A (0.42) | CYP2C19GBA1KDM5BKMT2ACCR1 | |
| SCHEMBL29972469 | 0.72 | KMT2A (0.42) | CYP2C19GBA1KDM5BKMT2ACCR1 | |
| SCHEMBL13429906 | 0.70 | CHRM2 (0.37) | GBA1CCR1CCR5CCR8HDAC6 | |
| SCHEMBL29648397 | 0.70 | LRRK2 (0.44) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL24497373 | 0.70 | LRRK2 (0.44) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL16656145 | 0.70 | CCR1 (0.73) | CYP2A6GBA1CCR1CCR5CCR8 |
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-2022222995-A1 | PICOLINAMIDE COMPOUND | 南京明德新药研发有限公司 | 2022-10-27 | — | — | WO | disclosed |