Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7896524 | 1.00 | MAPT (0.57) | MAPTPKMPDE4APDE4BPDE4C | |
| SCHEMBL2198604 | 0.86 | MAPT (0.57) | MAPTPKMKCNH2MEN1KMT2A | |
| SCHEMBL2196466 | 0.86 | MAPT (0.57) | MAPTPKMKCNH2MEN1KMT2A | |
| SCHEMBL2196504 | 0.86 | MAPT (0.57) | MAPTPKMKCNH2MEN1KMT2A | |
| SCHEMBL26818738 | 0.86 | MAPT (0.76) | MAPTPKMBACE1MEN1CYP1A2 | |
| SCHEMBL3552839 | 0.86 | MAPT (0.76) | MAPTPKMBACE1MEN1CYP1A2 | |
| SCHEMBL7887174 | 0.86 | MAPT (0.76) | MAPTPKMBACE1MEN1CYP1A2 | |
| Hydrochloric Acid SCHEMBL5839304 | 0.84 | MAPT (0.78) | MAPTPKMBACE1MEN1CYP1A2 | |
| SCHEMBL12513934 | 0.82 | MAPT (0.46) | MAPTPKMPDE4APDE4BPDE4C | |
| SCHEMBL6594772 | 0.82 | MAPT (0.53) | MAPTPKMMEN1KMT2AALDH1A1 |
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-2010094678-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |