Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | QPCT | Q16769 | 2/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14101920 | 0.93 | BACE1 (0.30) | BACE1 | |
| SCHEMBL4724251 | 0.92 | KHK (0.36) | AURKAFLT3AURKBLRRK2MAPT | |
| SCHEMBL4722822 | 0.89 | F2 (0.37) | BRD4MAPTHTTHTR6MTOR | |
| SCHEMBL4718877 | 0.85 | P2RX7 (0.35) | PDE3BPDE3A | |
| SCHEMBL4718873 | 0.85 | P2RX7 (0.35) | PDE3BPDE3A | |
| SCHEMBL4722660 | 0.83 | PDE4A (0.37) | LRRK2 | |
| SCHEMBL4719604 | 0.83 | F10 (0.33) | MAPTHTTHTR6CNR2 | |
| SCHEMBL14101912 | 0.81 | CYP11B1 (0.37) | MAPTHTTHTR6 | |
| SCHEMBL4719827 | 0.81 | BRD4 (0.40) | BRD4MAPT | |
| SCHEMBL4723310 | 0.80 | ITGB2 (0.40) | — |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |