Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | INSR | P06213 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29627387 | 1.00 | CYP2A6 (0.39) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL29627275 | 1.00 | CYP2A6 (0.39) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL29627345 | 0.91 | SIGMAR1 (0.38) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL29627289 | 0.91 | SIGMAR1 (0.38) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL29627335 | 0.91 | SIGMAR1 (0.38) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL29627301 | 0.91 | SIGMAR1 (0.38) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL29627287 | 0.91 | SIGMAR1 (0.38) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL29627347 | 0.89 | SIGMAR1 (0.38) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL700417 | 0.87 | ALDH1A1 (0.40) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL29422203 | 0.87 | ALDH1A1 (0.40) | CYP2A6CYP1A2CYP3A4ALDH1A1CYP2D6 |
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-2022131768-A1 | ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME | 솔루스첨단소재 주식회사 | 2022-06-23 | — | — | WO | disclosed |