Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.40 |
| ▸ | PDE4A | P27815 | 5/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3740207 | 0.79 | ACHE (0.45) | KDM4EALDH1A1MAPK1ACHEMAPT | |
| SCHEMBL7771802 | 0.78 | ACHE (0.36) | KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2 | |
| SCHEMBL6033728 | 0.77 | KDM4E (0.58) | KDM4EALDH1A1MAPK1SMN1; SMN2POLB | |
| SCHEMBL29366129 | 0.76 | ALDH1A1 (1.00) | KDM4EALDH1A1MAPK1SMN1; SMN2POLB | |
| SCHEMBL52405 | 0.76 | ALDH1A1 (1.00) | KDM4EALDH1A1MAPK1SMN1; SMN2POLB | |
| SCHEMBL13372165 | 0.74 | KDM4E (0.58) | KDM4EALDH1A1MAPK1SMN1; SMN2POLB | |
| SCHEMBL2587092 | 0.74 | KDM4E (0.36) | KDM4EMAPK1CYP1A2ACHEMAPT | |
| Iodide SCHEMBL5967814 | 0.73 | ALDH1A1 (0.94) | KDM4EALDH1A1MAPK1SMN1; SMN2POLB | |
| SCHEMBL3723473 | 0.72 | KDM4E (0.56) | KDM4EALDH1A1MAPK1SMN1; SMN2POLB | |
| SCHEMBL16909865 | 0.72 | KDM4E (0.42) | KDM4EALDH1A1MAPK1SMN1; SMN2POLB |
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-116622083-A | Eutectic material based on tetraaryladamantane crystallization partner, preparation method thereof and application thereof in molecular eutectic and structure identification | 南京晶立得科技有限公司 | 2023-08-22 | — | — | CN | disclosed |