Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.59 |
| ▸ | NPY5R | Q15761 | 12/20 | 0.57 |
| ▸ | NPY2R | P49146 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4649609 | 1.00 | GAA (0.66) | GAAKDM4EALDH1A1AOC3NPY5R | |
| SCHEMBL14008046 | 1.00 | GAA (0.66) | GAAKDM4EALDH1A1AOC3NPY5R | |
| SCHEMBL14008045 | 1.00 | GAA (0.66) | GAAKDM4EALDH1A1AOC3NPY5R | |
| SCHEMBL14393866 | 1.00 | GAA (0.66) | GAAKDM4EALDH1A1AOC3NPY5R | |
| SCHEMBL14393690 | 1.00 | GAA (0.66) | GAAKDM4EALDH1A1AOC3NPY5R | |
| SCHEMBL14197120 | 0.84 | GAA (0.64) | GAAKDM4EALDH1A1AOC3NPY5R | |
| SCHEMBL14338232 | 0.84 | GAA (0.64) | GAAKDM4EALDH1A1AOC3NPY5R | |
| SCHEMBL14368075 | 0.84 | GAA (0.64) | GAAKDM4EALDH1A1AOC3NPY5R | |
| SCHEMBL14338233 | 0.84 | GAA (0.64) | GAAKDM4EALDH1A1AOC3NPY5R | |
| Methylephedrine SCHEMBL11356628 | 0.83 | KDM4E (0.85) | GAAKDM4EALDH1A1AOC3NPY5R |
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-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | disclosed |