Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 19/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7980132 | 0.88 | SLC9A1 (0.53) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D | |
| SCHEMBL1764258 | 0.88 | SLC9A1 (0.53) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D | |
| SCHEMBL1763714 | 0.88 | SLC9A1 (0.52) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D | |
| SCHEMBL1764116 | 0.87 | SLC9A1 (0.51) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D | |
| SCHEMBL1763946 | 0.87 | SLC9A1 (0.52) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D | |
| SCHEMBL1763717 | 0.87 | SLC9A1 (0.52) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D | |
| SCHEMBL1763654 | 0.86 | SLC9A1 (0.50) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D | |
| SCHEMBL1763657 | 0.86 | SLC9A1 (0.50) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D | |
| SCHEMBL1763483 | 0.86 | SLC9A1 (0.55) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D | |
| SCHEMBL1763570 | 0.85 | SLC9A1 (0.52) | SLC9A1CYP2C9CYP3A4CYP2C19ADRA1D |
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 |