Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | CDK9 | P50750 | 4/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | CASP3 | P42574 | 2/20 | 0.32 |
| ▸ | CASP7 | P55210 | 2/20 | 0.32 |
| ▸ | UGCG | Q16739 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27785951 | 0.90 | CRHR1 (0.41) | CDK9CCNT1NPY1RNPY5RGABRG2 | |
| SCHEMBL27807907 | 0.89 | ALK (0.35) | ALKKCNH2CDK9CCNT1ADORA2A | |
| SCHEMBL27807906 | 0.87 | GABRG2 (0.36) | KCNH2CDK9CCNT1CNR2GABRG2 | |
| SCHEMBL27785979 | 0.87 | GABRA1 (0.42) | ADORA2AGABRG2GABRB3GABRA2 | |
| SCHEMBL27807995 | 0.86 | GABRG2 (0.34) | ALKKCNH2CDK9CCNT1ADORA2A | |
| SCHEMBL27807908 | 0.85 | CD274 (0.34) | NPY1RNPY5RGABRG2GABRB3GABRA2 | |
| SCHEMBL27785974 | 0.85 | GABRG2 (0.33) | NPY1RNPY5RGABRG2GABRB3GABRA2 | |
| SCHEMBL27785931 | 0.84 | — | — | |
| SCHEMBL27785942 | 0.83 | GABRG2 (0.42) | CDK9CCNT1ADORA2ANPY1RNPY5R | |
| SCHEMBL27785935 | 0.82 | MAPK1 (0.31) | ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101778849-A | Fused quinoline derivatives useful as gaba modulators | ASTRAZENECA AB | 2010-07-14 | — | — | CN | disclosed |