Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4574395 | 0.88 | HCAR2 (0.35) | CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL5329911 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL4573882 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL5566503 | 0.77 | SPR (0.32) | CYP3A4CYP2C9 | |
| SCHEMBL4575118 | 0.76 | HCRTR1 (0.30) | — | |
| SCHEMBL4574083 | 0.70 | TSHR (0.40) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL5417817 | 0.69 | ATP4A (0.46) | CYP3A4CYP2C9 | |
| SCHEMBL5570961 | 0.69 | AKT1 (0.32) | CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL5564813 | 0.63 | HCAR2 (0.43) | CYP3A4CYP2C9 | |
| SCHEMBL5425463 | 0.62 | ATP4A (0.45) | CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2 |
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-2008071766-A2 | SPIRO-INDENE SUBSTITUTED IMIDAZONAPHYTHYRIDINE AND PYRANOIMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF GASTRIC ACID SECRETION | NYCOMED GMBH (DE) | 2008-06-19 | — | — | WO | disclosed |