Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.55 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
| ▸ | ROS1 | P08922 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.45 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7694335 | 0.87 | EGFR (0.52) | EGFRERBB2ERBB4AURKBCHEK2 | |
| SCHEMBL7694371 | 0.87 | EGFR (0.44) | EGFRERBB2ERBB4AURKBCHEK2 | |
| SCHEMBL7694291 | 0.86 | EGFR (0.47) | EGFRERBB2ERBB4AURKBCHEK2 | |
| SCHEMBL7702493 | 0.83 | AURKA (0.46) | EGFRFLT3MEN1KMT2AMAPT | |
| SCHEMBL866939 | 0.76 | NPC1 (0.60) | EGFRERBB2MEN1KMT2AMAPT | |
| SCHEMBL6376293 | 0.74 | AR (0.62) | MEN1KMT2AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL6375513 | 0.74 | MAOB (0.53) | MAPTSMN1; SMN2ALDH1A1ALOX12GAA | |
| SCHEMBL3994495 | 0.74 | MAOB (0.53) | MAPTSMN1; SMN2ALDH1A1ALOX12GAA | |
| Hydrochloric Acid SCHEMBL28494253 | 0.73 | AR (0.60) | MEN1KMT2AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL7687433 | 0.72 | EGFR (0.49) | EGFRERBB2ERBB4AURKBCHEK2 |
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 |