Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 2/20 | 0.49 |
| ▸ | RXRB | P28702 | 2/20 | 0.49 |
| ▸ | RXRG | P48443 | 2/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ADH5 | P11766 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29702020 | 0.87 | ALDH1A1 (0.43) | AKR1C3AKR1C2HDAC6FOLH1ANO1 | |
| SCHEMBL4229287 | 0.82 | AKR1C3 (0.55) | RXRARXRBAKR1C3AKR1C2HDAC1 | |
| SCHEMBL2524411 | 0.79 | RXRA (0.50) | CYP2C8RXRARXRBRXRGAKR1C3 | |
| SCHEMBL4239055 | 0.78 | CYP2C8 (0.59) | CYP2C8RXRARXRBRXRGAKR1C3 | |
| SCHEMBL4849605 | 0.77 | DAO (0.44) | RXRARXRBRXRGSRD5A2ANO1 | |
| SCHEMBL23302210 | 0.77 | ADH5 (0.63) | CYP2C8RXRARXRBRXRGAKR1C3 | |
| SCHEMBL31236747 | 0.76 | RXRA (0.58) | CYP2C8RXRARXRBRXRGAKR1C3 | |
| Hydrochloric Acid SCHEMBL28670680 | 0.76 | ADH5 (0.61) | CYP2C8RXRARXRBRXRGAKR1C3 | |
| SCHEMBL29869199 | 0.73 | EPHX2 (0.55) | CYP2C8RXRARXRBRXRGAKR1C3 | |
| SCHEMBL28636307 | 0.73 | ALDH1A1 (0.45) | AKR1C3AKR1C2HDAC6FOLH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113943290-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 清华大学 | 2022-01-18 | — | — | CN | disclosed |
| CN-113943287-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 清华大学 | 2022-01-18 | — | — | CN | disclosed |