Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 17/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.58 |
| ▸ | CD38 | P28907 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4755121 | 0.94 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL13983207 | 0.93 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL13983563 | 0.93 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL13983208 | 0.87 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL13983210 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL4754941 | 0.77 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL4753478 | 0.77 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL5901522 | 0.76 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL4632260 | 0.75 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL5901744 | 0.75 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2 |
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-2008151927-A2 | 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS | NYCOMED GMBH (DE) | 2008-12-18 | — | — | WO | disclosed |