Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4522029 | 0.86 | CYP2D6 (0.47) | JAK2JAK3CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL2478228 | 0.74 | LCK (0.48) | JAK2JAK3CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL29591041 | 0.74 | JAK3 (0.45) | JAK2JAK3CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL1306110 | 0.74 | JAK3 (0.45) | JAK2JAK3CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL27863544 | 0.73 | LCK (0.54) | JAK2JAK3CYP2D6CYP2C19L3MBTL1 | |
| Hydrochloric Acid SCHEMBL4802990 | 0.73 | LCK (0.47) | JAK2JAK3CYP2D6CYP2C19L3MBTL1 | |
| Hydrochloric Acid SCHEMBL4133640 | 0.73 | JAK3 (0.44) | JAK2JAK3CYP2D6CYP2C19L3MBTL1 | |
| Hydrochloric Acid SCHEMBL21641049 | 0.72 | TRPM8 (0.40) | CYP2D6CYP2C19TRPM8CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL30585784 | 0.72 | TRPM8 (0.40) | CYP2D6CYP2C19TRPM8CHRNB4CHRNA3 | |
| SCHEMBL17961824 | 0.70 | DRD2 (0.36) | CYP2D6CYP2C19SLC6A2SLC6A4SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1608377-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | Affinium Pharmaceuticals, Inc. (CA) | 2005-12-28 | — | — | EP | disclosed |
| EP-1575951-A1 | HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY | Affinium Pharmaceuticals, Inc. (CA) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004082586-A2 | PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | AFFINIUM PHARMACEUTICALS, INC. (US) | 2004-09-30 | — | — | WO | disclosed |
| WO-2004052890-A1 | HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2004-06-24 | — | — | WO | disclosed |