Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 7/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | BAD | Q92934 | 1/20 | 0.37 |
| ▸ | BCKDK | O14874 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL25733722 | 0.91 | KDM4E (0.50) | CYP1A1CYP1B1CYP1A2KDM4ETOP1 | |
| SCHEMBL22174350 | 0.89 | KDM4E (0.46) | CYP1A1CYP1B1CYP1A2KDM4ETOP1 | |
| SCHEMBL31364126 | 0.89 | KDM4E (0.46) | CYP1A1CYP1B1CYP1A2KDM4ETOP1 | |
| SCHEMBL22172198 | 0.87 | CYP1B1 (0.52) | CYP1A1CYP1B1CYP1A2KDM4ETOP1 | |
| SCHEMBL23024877 | 0.83 | CYP1A1 (0.51) | CYP1A1CYP1B1CYP1A2KDM4ECYP2A6 | |
| SCHEMBL25733693 | 0.81 | CYP1A1 (0.42) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL25276994 | 0.80 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL13562083 | 0.80 | CYP2A6 (0.44) | CYP1A1CYP1B1CYP1A2KDM4ETOP1 | |
| SCHEMBL25733732 | 0.80 | CYP1A1 (0.48) | CYP1A1CYP1B1CYP1A2CYP2A6MCL1 | |
| SCHEMBL25733718 | 0.79 | CYP1A1 (0.45) | CYP1A1CYP1B1CYP1A2KDM4ECYP2A6 |
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 |