Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.36 |
| ▸ | GCK | P35557 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 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 SCHEMBL8101760 | 0.99 | ALDH1A1 (0.41) | ALDH1A1SCN9ABRD4PPARGPTGER3 | |
| Hydrochloric Acid SCHEMBL8007030 | 0.99 | ALDH1A1 (0.41) | ALDH1A1SCN9ABRD4PPARGPTGER3 | |
| SCHEMBL7995604 | 0.85 | AOC3 (0.40) | ALDH1A1SCN9ABRD4PPARG | |
| Hydrochloric Acid SCHEMBL8104379 | 0.84 | AOC3 (0.41) | ALDH1A1SCN9ABRD4PPARG | |
| Hydrochloric Acid SCHEMBL8007034 | 0.84 | AOC3 (0.41) | ALDH1A1SCN9ABRD4PPARG | |
| SCHEMBL8831746 | 0.83 | PLK1 (0.47) | ALDH1A1SCN9ABRD4PTGER3CYP3A4 | |
| Water SCHEMBL8095247 | 0.82 | SCN9A (0.40) | ALDH1A1SCN9ABRD4PPARGPTGER3 | |
| SCHEMBL8004004 | 0.81 | KCNQ3 (0.39) | — | |
| SCHEMBL8004732 | 0.75 | ALOX15 (0.62) | ALDH1A1SCN9ABRD4PPARGPTGER3 | |
| SCHEMBL8005829 | 0.71 | PPARG (0.37) | SCN9APPARGGCK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0748795-B1 | Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them | HOECHST AG (DE) | 2000-08-23 | — | — | EP | disclosed |
| US-6022899-A | EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | disclosed |
| US-5753710-A | INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-05-19 | — | — | US | disclosed |
| EP-0748795-A2 | Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-12-18 | — | — | EP | disclosed |