Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.52 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | GPR183 | P32249 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | DDO | Q99489 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL4073976 | 1.00 | CYP2A6 (0.52) | CYP2A6KIF11KDM4EPTGS2RAB9A | |
| SCHEMBL4074346 | 0.85 | CYP2A6 (0.53) | CYP2A6KIF11KDM4EPTGS2RAB9A | |
| SCHEMBL17146233 | 0.81 | KEAP1 (0.40) | CYP2A6KDM4EKEAP1GPR183AXL | |
| SCHEMBL18000092 | 0.81 | CYP2A6 (0.40) | CYP2A6KDM4EKEAP1GPR183AXL | |
| SCHEMBL28569699 | 0.77 | RELA (0.52) | KDM4EPTGS2RAB9AGPR183ALDH1A1 | |
| SCHEMBL23245359 | 0.76 | GPR183 (0.38) | CYP2A6KDM4EPTGS2KEAP1GPR183 | |
| SCHEMBL8545404 | 0.76 | KDM4E (0.51) | KDM4EGPR183ALDH1A1TSHRGAA | |
| SCHEMBL8545402 | 0.76 | KDM4E (0.51) | KDM4EGPR183ALDH1A1TSHRGAA | |
| SCHEMBL23245362 | 0.76 | GPR183 (0.38) | CYP2A6KDM4EPTGS2KEAP1GPR183 | |
| SCHEMBL29955387 | 0.74 | CYP2A6 (0.58) | CYP2A6KIF11KDM4EPTGS2RAB9A |
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-4185586-A1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Chong Kun Dang Pharmaceutical Corp. (KR) | 2023-05-31 | — | — | EP | disclosed |