Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 5/20 | 0.34 |
| ▸ | DRD3 | P35462 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 4/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL23027463 | 0.86 | ADRA1A (0.35) | ALDH1A1CYP3A4MAPTKDM4EHPGD | |
| SCHEMBL16518076 | 0.76 | KDM4E (0.38) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL23027374 | 0.75 | CYP1A2 (0.40) | KDM4EGLADRD2 | |
| SCHEMBL14430374 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP3A4MAPTKDM4EHPGD | |
| SCHEMBL9518328 | 0.71 | ADRA1A (0.41) | ALDH1A1CYP3A4ADRA1AHSD17B10 | |
| SCHEMBL19870678 | 0.69 | HDAC4 (0.31) | — | |
| SCHEMBL31741626 | 0.68 | ADRA1A (0.49) | ALDH1A1KDM4EHPGDGLAGAA | |
| SCHEMBL23027457 | 0.68 | CYP1A2 (0.40) | KDM4EGLADRD2 | |
| SCHEMBL20152958 | 0.68 | HPGD (0.39) | ALDH1A1CYP3A4MAPTKDM4EHPGD | |
| SCHEMBL17014327 | 0.68 | ADRA1A (0.41) | ALDH1A1KDM4EHPGDGLAGAA |
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-2021032074-A1 | BENZAMIDE FUSED AROMATIC RING DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2021-02-25 | — | — | WO | disclosed |