Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 3/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
| ▸ | HTR2B | P41595 | 4/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23027378 | 0.86 | ALDH1A1 (0.36) | ADRA1ADRD2DRD3ALDH1A1CYP3A4 | |
| SCHEMBL14430374 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP3A4MAPTHPGDKDM4E | |
| SCHEMBL19870678 | 0.77 | HDAC4 (0.31) | — | |
| SCHEMBL23027457 | 0.75 | CYP1A2 (0.40) | DRD2KDM4EGLA | |
| SCHEMBL9518328 | 0.75 | ADRA1A (0.41) | ADRA1AALDH1A1CYP3A4MAOAPTGS1 | |
| SCHEMBL14430500 | 0.71 | MAPK1 (0.35) | DRD2DRD3GAA | |
| SCHEMBL18053266 | 0.69 | HTR5A (0.46) | DRD2DRD3ALDH1A1PTGS1 | |
| SCHEMBL31741626 | 0.68 | ADRA1A (0.49) | ADRA1AKDM1AHTR2AHTR2CHTR2B | |
| SCHEMBL23027374 | 0.68 | CYP1A2 (0.40) | DRD2KDM4EGLA | |
| SCHEMBL10819305 | 0.67 | HDAC4 (0.37) | KDM1ADRD2DRD3 |
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 |