Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | F11 | P03951 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | F7 | P08709 | 2/20 | 0.38 |
| ▸ | F3 | P13726 | 2/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL24713737 | 0.86 | KIF11 (0.44) | CYP2A6TYMSF11KIF11AHR | |
| SCHEMBL24713792 | 0.84 | KIF11 (0.43) | CYP2A6TYMSF11KIF11AHR | |
| SCHEMBL24713797 | 0.84 | GABRP (0.42) | TYMSF11KIF11AHRF7 | |
| SCHEMBL24032467 | 0.81 | KIF11 (0.68) | CYP2A6KIF11AHRDYRK1AALDH1A1 | |
| SCHEMBL24713750 | 0.80 | F11 (0.46) | CYP2A6TYMSF11KIF11AHR | |
| SCHEMBL6561368 | 0.78 | CYP2A6 (0.57) | CYP2A6TYMSF11AHRF7 | |
| SCHEMBL24714265 | 0.77 | CDC7 (0.40) | CYP2A6TYMSF11AHRF7 | |
| SCHEMBL24713741 | 0.77 | TYMS (0.37) | CYP2A6TYMSF11AHRF7 | |
| SCHEMBL24713717 | 0.77 | MAPK10 (0.44) | CYP2A6TYMSF11AHRCMA1 | |
| SCHEMBL24714742 | 0.76 | TYMS (0.36) | CYP2A6TYMSF11AHRF7 |
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-4063367-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | LG Chem, Ltd. (KR) | 2022-09-28 | — | — | EP | disclosed |