Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
| ▸ | GABRE | P78334 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18718154 | 0.81 | KDM4E (0.41) | KDM4EALDH1A1GLAGLSCYP1A2 | |
| SCHEMBL18718139 | 0.77 | ADORA2B (0.41) | KDM4EALDH1A1GLAGLSCYP1A2 | |
| SCHEMBL19436521 | 0.75 | KDM4E (0.47) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20066400 | 0.75 | KDM4E (0.43) | KDM4EALDH1A1CYP1A2LMNAGABRP | |
| SCHEMBL24467514 | 0.74 | KDM4E (0.42) | KDM4EALDH1A1LMNAGABRPGABRD | |
| SCHEMBL2520896 | 0.73 | ALDH1A1 (0.42) | KDM4EALDH1A1GLAGLSLMNA | |
| SCHEMBL20886137 | 0.72 | KDM4E (0.41) | KDM4EALDH1A1LMNAGABRPGABRD | |
| Hydrochloric Acid SCHEMBL29127376 | 0.72 | ALDH1A1 (0.41) | KDM4EALDH1A1GLAGLSLMNA | |
| SCHEMBL27152767 | 0.72 | ALDH1A1 (0.41) | KDM4EALDH1A1GLAGLSLMNA | |
| SCHEMBL27028508 | 0.71 | ALDH1A1 (0.38) | KDM4EALDH1A1GLAGLSCYP1A2 |
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-2021013250-A1 | HETEROCYCLIC AMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海济煜医药科技有限公司 | 2021-01-28 | — | — | WO | disclosed |