Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | IDH2 | P48735 | 6/20 | 0.36 |
| ▸ | IDH1 | O75874 | 4/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14814596 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 | |
| SCHEMBL14815310 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 | |
| SCHEMBL14815018 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 | |
| SCHEMBL14815009 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 | |
| SCHEMBL14815464 | 0.85 | MGLL (0.42) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 | |
| SCHEMBL14815186 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 | |
| SCHEMBL14814985 | 0.82 | HSD11B1 (0.45) | HSD11B1HCRTR2TAS2R14HCRTR1IDH2 | |
| SCHEMBL14833380 | 0.82 | HSD11B1 (0.45) | HSD11B1HCRTR2TAS2R14HCRTR1IDH2 | |
| SCHEMBL14815138 | 0.81 | PHGDH (0.43) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 | |
| SCHEMBL14814958 | 0.80 | CCR6 (0.46) | CYP3A4CYP2D6CYP2C9HSD11B1HCRTR2 |
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-2013049164-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | WO | disclosed |