Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCK | P35557 | 20/20 | 0.84 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Azd-1656 SCHEMBL30292634 | 0.92 | GCK (1.00) | GCKKCNH2CYP1A2ABCB1CYP3A4 | |
| Azd-1656 SCHEMBL321593 | 0.92 | GCK (1.00) | GCKKCNH2CYP1A2ABCB1CYP3A4 | |
| Azd-1656 SCHEMBL20299733 | 0.92 | GCK (1.00) | GCKKCNH2CYP1A2ABCB1CYP3A4 | |
| Azd-1656 SCHEMBL1427162 | 0.92 | GCK (1.00) | GCKKCNH2CYP1A2ABCB1CYP3A4 | |
| Azd-1656 SCHEMBL29358604 | 0.92 | GCK (1.00) | GCKKCNH2CYP1A2ABCB1CYP3A4 | |
| SCHEMBL1427015 | 0.90 | GCK (0.81) | GCKKCNH2CYP1A2ABCB1CYP3A4 | |
| SCHEMBL2661628 | 0.90 | GCK (0.85) | GCKKCNH2CYP1A2ABCB1CYP3A4 | |
| SCHEMBL1426451 | 0.90 | GCK (0.85) | GCKKCNH2CYP1A2ABCB1CYP3A4 | |
| Water SCHEMBL2592088 | 0.89 | GCK (0.84) | GCKKCNH2CYP1A2ABCB1CYP3A4 | |
| SCHEMBL1427170 | 0.88 | GCK (0.82) | GCKKCNH2CYP1A2ABCB1CYP3A4 |
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-2011135355-A1 | 3-{ [5 -(AZETIDIN-1-YLCARBONYL)PYRAZIN-2 -YL] OXY} -5-{ [(1S) -2 -HYDROXY- 1 -METHYLETHYL]OXY} -N- (5 -METHYLPYRAZIN-2-) BENZAMID MONOHYDRATE | ASTRAZENECA AB (SE) | 2011-11-03 | — | — | WO | disclosed |