Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.33 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3046674 | 0.92 | MEN1 (0.34) | TBK1MEN1KMT2ANR1H2 | |
| SCHEMBL3046394 | 0.90 | NR1H2 (0.33) | TBK1HRH3ATRATRIPNR1H2 | |
| SCHEMBL3037182 | 0.90 | ACHE (0.37) | TBK1MEN1KMT2ANR1H2 | |
| SCHEMBL3046302 | 0.89 | NR1H2 (0.38) | TBK1ATRATRIPNR1H2 | |
| SCHEMBL3044037 | 0.88 | ABCB1 (0.36) | — | |
| SCHEMBL3044239 | 0.87 | DRD4 (0.34) | TBK1ATRATRIPNR1H2 | |
| SCHEMBL3051382 | 0.87 | NR1H2 (0.36) | TBK1ATRATRIPNR1H2 | |
| SCHEMBL3044187 | 0.87 | ATR (0.33) | TBK1ATRATRIPNR1H2 | |
| SCHEMBL3043648 | 0.87 | ATR (0.33) | TBK1ATRATRIPNR1H2 | |
| SCHEMBL3159224 | 0.87 | HRH3 (0.39) | TBK1HRH3ATRATRIP |
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 |
|---|---|---|---|---|---|---|---|
| EP-1880993-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-01-23 | — | — | EP | disclosed |