Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 18/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | RBP4 | P02753 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1763943 | 0.91 | SLC9A1 (0.69) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL7994756 | 0.91 | SLC9A1 (0.62) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1763735 | 0.91 | RBP4 (0.67) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1763344 | 0.91 | SLC9A1 (0.59) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1763789 | 0.90 | SLC9A1 (0.71) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1763759 | 0.90 | SLC9A1 (0.57) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1763080 | 0.88 | SLC9A1 (0.68) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1763892 | 0.88 | SLC9A1 (0.68) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1763519 | 0.87 | SLC9A1 (0.69) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1763620 | 0.87 | SLC9A1 (0.62) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 |
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 |