Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 18/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 SCHEMBL8505886 | 0.99 | SLC9A1 (0.52) | SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D | |
| Hydrochloric Acid SCHEMBL8506601 | 0.88 | SLC9A1 (0.52) | SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D | |
| Hydrochloric Acid SCHEMBL8503964 | 0.88 | SLC9A1 (0.49) | SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D | |
| SCHEMBL27352800 | 0.85 | PARP10 (0.42) | SLC9A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8181857 | 0.83 | SLC9A1 (0.41) | SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D | |
| Hydrochloric Acid SCHEMBL8070333 | 0.82 | SLC9A1 (0.43) | SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D | |
| SCHEMBL8641351 | 0.81 | EPAS1 (0.45) | SLC9A1CYP2C9CYP2C19CYP3A4SLC9A2 | |
| SCHEMBL8185434 | 0.80 | SLC9A1 (0.52) | SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D | |
| SCHEMBL8169938 | 0.80 | SLC9A1 (0.39) | SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D | |
| Hydrochloric Acid SCHEMBL8640823 | 0.79 | BACE1 (0.46) | SLC9A1 |
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-0612723-B1 | Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them | HOECHST AG (DE) | 1997-08-27 | — | — | EP | claimed |