Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16893064 | 0.87 | MAPT (0.45) | ADORA1ADORA2AABHD6ROCK2ROCK1 | |
| SCHEMBL5413015 | 0.87 | MAPK1 (0.51) | MAPK1ADORA1ADORA2AAOC3ROCK2 | |
| SCHEMBL16893040 | 0.87 | ADORA1 (0.53) | MAPK1ADORA1ADORA2AAOC3MAPT | |
| SCHEMBL16893103 | 0.84 | ADORA1 (0.54) | MAPK1ADORA1ADORA2AABHD6MAPT | |
| SCHEMBL16893074 | 0.83 | NPY5R (0.38) | ADORA1ADORA2A | |
| SCHEMBL16893046 | 0.81 | ADORA1 (0.56) | ADORA1ADORA2AROCK2ROCK1MAPT | |
| SCHEMBL27582175 | 0.78 | ADORA1 (0.35) | MAPK1ADORA1ADORA2AMAPTNPSR1 | |
| SCHEMBL27582114 | 0.77 | ADORA1 (0.37) | MAPK1ADORA1ADORA2AROCK2MAPT | |
| SCHEMBL5400360 | 0.77 | ADORA1 (0.43) | ADORA1ADORA2A | |
| SCHEMBL27582177 | 0.76 | ADORA1 (0.39) | ADORA1ADORA2AMAPTNPSR1 |
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 | claimed |