Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | WNT1 | P04628 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CLK3 | P49761 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4831454 | 0.77 | HRH4 (0.34) | HRH4 | |
| SCHEMBL1599784 | 0.77 | HRH4 (0.38) | HRH4CXCR4 | |
| SCHEMBL4781342 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL1569984 | 0.76 | HRH4 (0.45) | HRH4HRH3 | |
| SCHEMBL2324452 | 0.75 | HRH4 (0.40) | HRH4MAP4K4CXCR4 | |
| SCHEMBL22837819 | 0.75 | PLD1 (0.53) | — | |
| SCHEMBL933191 | 0.74 | MAP4K4 (0.39) | HRH4HRH3MAP4K4KITFLT3 | |
| SCHEMBL27549279 | 0.74 | PDE10A (0.40) | PDE10A | |
| SCHEMBL455110 | 0.73 | PIK3CA (0.44) | — | |
| SCHEMBL182823 | 0.73 | PLD1 (0.53) | HRH4HRH3DYRK1A |
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-104854108-A | Pyrrolotriazinone derivatives as pi3k inhibitors | ALMIRALL SA | 2015-08-19 | — | — | CN | disclosed |