Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | CCR3 | P51677 | 2/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| SCHEMBL3033216 | 0.90 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL3037532 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL3637150 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL3029146 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL3036338 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL3027180 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL3022884 | 0.82 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL3038485 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| Hydrochloric Acid SCHEMBL13560487 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL3034595 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |
| EP-2166856-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008154271-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |