Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1990819 | 0.81 | ROCK1 (0.46) | DRD2ROCK1SIRT2ALDH1A1MTNR1A | |
| SCHEMBL28762184 | 0.80 | ROCK1 (0.48) | DRD2ROCK1ALDH1A1SMN1; SMN2MTNR1A | |
| SCHEMBL17560529 | 0.79 | CHRM2 (0.48) | ALDH1A1CHRM2CHRM3MTNR1AMTNR1B | |
| SCHEMBL28752588 | 0.78 | ROCK1 (0.44) | DRD2ROCK1ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL23579413 | 0.78 | ROCK1 (0.46) | DRD2ROCK1ALDH1A1SMN1; SMN2MTNR1A | |
| SCHEMBL14827764 | 0.78 | GAA (0.47) | DRD2ROCK1SIRT2ALDH1A1SMN1; SMN2 | |
| SCHEMBL29974269 | 0.78 | ROCK1 (0.46) | DRD2ROCK1ALDH1A1SMN1; SMN2MTNR1A | |
| SCHEMBL7832893 | 0.78 | ROCK1 (0.46) | DRD2ROCK1ALDH1A1SMN1; SMN2MTNR1A | |
| Fumaric Acid SCHEMBL7676427 | 0.78 | LMNA (0.47) | DRD2ROCK1SIRT2ALDH1A1SMN1; SMN2 | |
| SCHEMBL2467475 | 0.77 | ROCK1 (0.49) | DRD2ROCK1SIRT2ALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016035008-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS | LUPIN LIMITED (IN) | 2016-03-10 | — | — | WO | disclosed |
| WO-2016035008-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS | LUPIN LIMITED (IN) | 2016-03-10 | — | — | WO | disclosed |