Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 3/20 | 0.46 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8004814 | 0.81 | CTSD (0.36) | CTSD | |
| SCHEMBL8097928 | 0.80 | SLC9A1 (0.53) | SLC9A1SLC9A2HSP90AA1HDAC3HDAC1 | |
| SCHEMBL4355373 | 0.77 | SLC9A1 (0.72) | SLC9A1SLC9A2 | |
| SCHEMBL27524440 | 0.75 | SLC9A1 (0.40) | SLC9A1SLC9A2HSP90AA1HDAC3HDAC1 | |
| SCHEMBL8007047 | 0.70 | SLC9A1 (0.60) | SLC9A1SLC9A2 | |
| Hydrochloric Acid SCHEMBL8004970 | 0.69 | SLC9A1 (0.58) | SLC9A1SLC9A2 | |
| Water SCHEMBL8088760 | 0.69 | SLC9A1 (0.50) | SLC9A1SLC9A2 | |
| SCHEMBL8007941 | 0.66 | SLC9A1 (0.49) | SLC9A1SLC9A2 | |
| SCHEMBL7995153 | 0.66 | SLC9A1 (0.49) | SLC9A1SLC9A2MAPK8 | |
| SCHEMBL8097379 | 0.65 | SLC9A1 (0.50) | SLC9A1SLC9A2 |
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 | claimed |
| US-6022899-A | EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | claimed |
| 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 |