Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 3/20 | 0.31 |
| ▸ | JAK1 | P23458 | 3/20 | 0.31 |
| ▸ | TYK2 | P29597 | 3/20 | 0.31 |
| ▸ | JAK3 | P52333 | 3/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20077896 | 0.98 | PDE5A (0.34) | PDE5APDE1APDE1BPDE3BPDE1C | |
| SCHEMBL20524316 | 0.78 | HTR2A (0.41) | HTR2AHTR2C | |
| SCHEMBL28427713 | 0.78 | TDO2 (0.36) | HAO1ALDH1A1LMNAPOLBJAK2 | |
| SCHEMBL11392186 | 0.76 | NUDT1 (0.33) | PDE5APDE1APDE1BPDE3BPDE1C | |
| SCHEMBL22234302 | 0.76 | TDO2 (0.35) | PDE5APDE1APDE1BPDE3BPDE1C | |
| SCHEMBL11839119 | 0.76 | ALDH1A1 (0.33) | PDE5APDE1APDE1BPDE3BPDE1C | |
| SCHEMBL11836850 | 0.76 | CHRM4 (0.35) | HAO1ALDH1A1LMNAPOLBJAK2 | |
| SCHEMBL16416156 | 0.76 | — | — | |
| SCHEMBL21001854 | 0.73 | MAPK8 (0.30) | — | |
| SCHEMBL3469250 | 0.73 | MAPK8 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2173354-A1 | QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS | GlaxoSmithKline LLC (US) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009021083-A1 | QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-02-12 | — | — | WO | disclosed |