Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14064624 | 0.98 | KDM4E (0.46) | KDM4EALDH1A1MAPK1SMN1; SMN2HPGD | |
| SCHEMBL30490817 | 0.98 | KDM4E (0.46) | KDM4EALDH1A1MAPK1SMN1; SMN2HPGD | |
| SCHEMBL8814573 | 0.85 | ALDH1A1 (0.48) | KDM4EALDH1A1MAPK1SMN1; SMN2HPGD | |
| SCHEMBL8763678 | 0.85 | SLC2A1 (0.44) | ALDH1A1MAPTSLC2A1ATM | |
| SCHEMBL9170451 | 0.84 | SLC2A1 (0.45) | KDM4EALDH1A1MAPK1SMN1; SMN2HPGD | |
| SCHEMBL5963023 | 0.83 | ALDH1A1 (0.46) | KDM4EALDH1A1MAPK1SMN1; SMN2HPGD | |
| SCHEMBL8409905 | 0.81 | ALDH1A1 (0.45) | KDM4EALDH1A1MAPK1SMN1; SMN2HPGD | |
| SCHEMBL30725599 | 0.81 | ALDH1A1 (0.45) | KDM4EALDH1A1MAPK1SMN1; SMN2HPGD | |
| SCHEMBL6041838 | 0.81 | ALDH1A1 (0.45) | KDM4EALDH1A1MAPK1SMN1; SMN2HPGD | |
| SCHEMBL15345444 | 0.81 | ALDH1A1 (0.45) | KDM4EALDH1A1MAPK1SMN1; SMN2HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115872887-B | Preparation method of agomelatine | 上海国创医药股份有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-107459468-B | A kind of synthetic method of agomelatine | 山东鲁宁药业有限公司 | 2019-12-03 | — | — | CN | disclosed |
| CN-107459468-A | A kind of synthetic method of agomelatine | 山东鲁宁药业有限公司 | 2017-12-12 | — | — | CN | disclosed |