Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | F11 | P03951 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 4/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1249703 | 0.97 | CYP2A6 (0.56) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL6865242 | 0.93 | CYP2A6 (0.52) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL19244137 | 0.90 | CYP2A6 (0.54) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9727032 | 0.89 | CYP2A6 (0.74) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL29644361 | 0.81 | CYP2A6 (0.77) | CYP2A6ALDH1A1F11AHRNR4A2 | |
| SCHEMBL29353067 | 0.81 | CYP2A6 (0.77) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL865990 | 0.81 | CYP2A6 (0.77) | CYP2A6ALDH1A1F11AHRNR4A2 | |
| SCHEMBL192166 | 0.81 | CYP2A6 (0.77) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL12267970 | 0.79 | CYP11B1 (0.50) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL1758210 | 0.78 | DHODH (0.43) | CYP2A6KDM4EMEN1ALDH1A1MAPT |
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-115443549-A | Organic light emitting device | 株式会社LG化学 | 2022-12-06 | — | — | CN | disclosed |