Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.49 |
| ▸ | GAA | P10253 | 10/20 | 0.49 |
| ▸ | GLA | P06280 | 7/20 | 0.49 |
| ▸ | HPGD | P15428 | 7/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | FADS1 | O60427 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 SCHEMBL9016996 | 0.98 | ALDH1A1 (0.48) | ALDH1A1KDM4EGAAGLAHPGD | |
| Hydrochloric Acid SCHEMBL8742134 | 0.98 | ALDH1A1 (0.48) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL10713936 | 0.79 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL2061521 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAGLAHPGD | |
| Hydrochloric Acid SCHEMBL8393884 | 0.77 | KDM4E (0.62) | ALDH1A1KDM4EGAAHPGDPOLB | |
| Hydrochloric Acid SCHEMBL8392493 | 0.77 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDPOLBMAPT | |
| SCHEMBL29791639 | 0.76 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL1807629 | 0.76 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAGLAHPGD | |
| Hydrochloric Acid SCHEMBL8742112 | 0.76 | HSD11B1 (0.45) | ALDH1A1KDM4EGAAGLAHPGD | |
| Hydrochloric Acid SCHEMBL9016999 | 0.75 | FADS1 (0.54) | ALDH1A1KDM4EGAAGLAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0603650-B1 | 3,5-Substituted amino benzoylguanidines, process for their preparation, their use as medicine or diagnostic agent, as well as a medicine containing them | HOECHST AG (DE) | 1997-04-02 | — | — | EP | claimed |