Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 20/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1763547 | 0.91 | SLC9A1 (0.55) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL1763474 | 0.88 | SLC9A1 (0.52) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL1763424 | 0.88 | SLC9A1 (0.54) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL1763817 | 0.88 | SLC9A1 (0.54) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL7994756 | 0.88 | SLC9A1 (0.62) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL1763606 | 0.87 | SLC9A1 (0.69) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL1763080 | 0.87 | SLC9A1 (0.68) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL1763892 | 0.87 | SLC9A1 (0.68) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL1763931 | 0.86 | SLC9A1 (0.72) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL1763943 | 0.86 | SLC9A1 (0.69) | SLC9A1CYP2C9CYP2C19CYP2D6CYP3A4 |
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-2010005783-A1 | PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-14 | — | — | WO | disclosed |