Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | BPTF | Q12830 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21381361 | 0.99 | ALDH1A1 (0.43) | ALDH1A1GAAMAPTHSD17B10BPTF | |
| SCHEMBL21396908 | 0.81 | DRD2 (0.53) | ALDH1A1MAPTBPTFSYKDRD2 | |
| SCHEMBL2124387 | 0.79 | MAPT (0.53) | ALDH1A1GAAMAPTHSD17B10SYK | |
| Hydrochloric Acid SCHEMBL28452475 | 0.79 | ALDH1A1 (0.47) | ALDH1A1GAAMAPTHSD17B10SYK | |
| SCHEMBL21396903 | 0.78 | HTR1A (0.40) | BPTFSYKDRD2DRD3HTR1A | |
| SCHEMBL21396909 | 0.77 | ACACB (0.41) | BPTFSYKDRD2DRD3HTR1A | |
| SCHEMBL28449595 | 0.76 | ALDH1A1 (0.37) | ALDH1A1GAAMAPTHSD17B10ADRA1D | |
| SCHEMBL25081138 | 0.70 | BPTF (0.51) | ALDH1A1BPTFSYKDRD2DRD3 | |
| SCHEMBL31536935 | 0.70 | BPTF (0.51) | ALDH1A1BPTFSYKDRD2DRD3 | |
| SCHEMBL3462757 | 0.68 | ALDH1A1 (0.57) | ALDH1A1GAAMAPTHSD17B10PDE3B |
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-2019179362-A1 | AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-09-26 | — | — | WO | disclosed |