Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CCR6 | P51684 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.39 |
| ▸ | CCNK | O75909 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14814665 | 1.00 | EPHX2 (0.51) | EPHX2HSD11B1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14814958 | 0.84 | CCR6 (0.46) | EPHX2HSD11B1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14814707 | 0.83 | DPP4 (0.43) | EPHX2HSD11B1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14815009 | 0.83 | CYP3A4 (0.41) | EPHX2HSD11B1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14815158 | 0.81 | DPP4 (0.45) | EPHX2HSD11B1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14815106 | 0.80 | CYP3A4 (0.42) | EPHX2HSD11B1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14815322 | 0.78 | MGLL (0.46) | HSD11B1CYP3A4CYP2D6CYP2C9HCRTR2 | |
| SCHEMBL14815171 | 0.75 | EPHX2 (0.52) | EPHX2CCR6DPP4HPGDSMN1; SMN2 | |
| SCHEMBL14815203 | 0.74 | CCR6 (0.41) | HSD11B1CYP3A4CYP2D6CYP2C9CCR6 | |
| SCHEMBL14815122 | 0.71 | MGLL (0.48) | HPGDSMN1; SMN2POLBCCNKCDK12 |
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 |