Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | MCHR1 | Q99705 | 8/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.39 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.39 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14758924 | 0.89 | KCNH2 (0.62) | KCNH2MCHR1TLR9TLR7TLR8 | |
| Hydrochloric Acid SCHEMBL14745204 | 0.88 | KCNH2 (0.61) | KCNH2MCHR1TLR9TLR7TLR8 | |
| SCHEMBL14741162 | 0.77 | KCNH2 (0.48) | KCNH2MCHR1 | |
| SCHEMBL14741145 | 0.76 | KCNH2 (0.46) | KCNH2MCHR1PRKD3MAP4K4PIM1 | |
| SCHEMBL14741188 | 0.76 | KCNH2 (0.46) | KCNH2 | |
| SCHEMBL16577241 | 0.76 | KCNH2 (0.46) | KCNH2 | |
| SCHEMBL14745170 | 0.76 | KCNH2 (0.46) | KCNH2 | |
| SCHEMBL14745169 | 0.76 | KCNH2 (0.47) | KCNH2MCHR1TLR9TLR7TLR8 | |
| SCHEMBL16568257 | 0.75 | TP53 (0.55) | CYP1A2CYP2C19LMNA | |
| SCHEMBL14741044 | 0.75 | KCNH2 (0.46) | KCNH2MCHR1PRKD3MAP4K4PIM1 |
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-2015114317-A1 | 5H-ISOTHIAZOLO[4,5-C]PYRIDINE-3,4-DIONE OR 5H-PYRAZOLO[4,3-C]PYRIDIN-3,4-DIONE AS ANTIBACTERIAL COMPOUNDS | REDX PHARMA PLC (GB) | 2015-08-06 | — | — | WO | disclosed |