Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | ROS1 | P08922 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.49 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.46 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7697675 | 0.84 | EGFR (0.46) | EGFRERBB2AURKBCHEK2ROS1 | |
| SCHEMBL7688389 | 0.81 | EGFR (0.52) | EGFRERBB2AURKBCHEK2ROS1 | |
| SCHEMBL7688350 | 0.79 | AURKA (0.46) | FLT3KMT2AMEN1MAPTHTT | |
| SCHEMBL1699209 | 0.77 | MAPT (0.49) | EGFRERBB2AURKBCHEK2ROS1 | |
| SCHEMBL6376293 | 0.76 | AR (0.62) | KMT2AMEN1MAPTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL28494253 | 0.74 | AR (0.60) | KMT2AMEN1MAPTNPC1RAB9A | |
| SCHEMBL7694335 | 0.73 | EGFR (0.52) | EGFRERBB2AURKBCHEK2ROS1 | |
| SCHEMBL7694291 | 0.72 | EGFR (0.47) | EGFRERBB2AURKBCHEK2ROS1 | |
| SCHEMBL7703057 | 0.72 | EGFR (0.55) | EGFRERBB2AURKBCHEK2ROS1 | |
| SCHEMBL1699142 | 0.72 | EGFR (0.59) | EGFRERBB2AURKBCHEK2ROS1 |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |