Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | OGG1 | O15527 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL30020344 | 0.91 | CYP1A1 (0.49) | CYP1A1CYP1B1CYP1A2MCL1CYP2A6 | |
| SCHEMBL24156132 | 0.91 | CYP1A1 (0.49) | CYP1A1CYP1B1CYP1A2MCL1CYP2A6 | |
| SCHEMBL25733732 | 0.89 | CYP1A1 (0.48) | CYP1A1CYP1B1CYP1A2MCL1CYP2A6 | |
| SCHEMBL24758926 | 0.89 | CYP2A6 (0.50) | CYP1A1CYP1B1CYP1A2MCL1CYP2A6 | |
| SCHEMBL13935954 | 0.83 | CYP1A1 (0.42) | CYP1A1CYP1B1CYP1A2CYP2A6MAPK1 | |
| SCHEMBL13935881 | 0.82 | CYP1B1 (0.46) | CYP1A1CYP1B1CYP1A2CYP2A6MAPK1 | |
| SCHEMBL24033965 | 0.81 | CYP1A2 (0.46) | CYP1A1CYP1B1CYP1A2MCL1CYP2A6 | |
| SCHEMBL25733703 | 0.79 | CYP1A2 (0.40) | CYP1A1CYP1B1CYP1A2MCL1CYP2A6 | |
| SCHEMBL23981335 | 0.79 | CYP1A2 (0.50) | CYP1A1CYP1B1CYP1A2MCL1CYP2A6 | |
| SCHEMBL25733722 | 0.79 | KDM4E (0.50) | CYP1A1CYP1B1CYP1A2CYP2A6GPR3 |
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-2023113333-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2023-06-22 | — | — | WO | disclosed |