Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 12/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
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 | 0.93 | MAPT (0.45) | ADORA1ADORA2AMAPTNPSR1ABHD6 | |
| SCHEMBL16893040 | 0.91 | ADORA1 (0.53) | ADORA1ADORA2AMAPTNPSR1MAPK1 | |
| SCHEMBL16893046 | 0.86 | ADORA1 (0.56) | ADORA1ADORA2AMAPTNPSR1GAA | |
| SCHEMBL5412959 | 0.86 | ADORA1 (0.56) | ADORA1ADORA2AMAPK1CNR1 | |
| SCHEMBL16893097 | 0.84 | MAPK1 (0.37) | ADORA1ADORA2AMAPTNPSR1ABHD6 | |
| SCHEMBL16893055 | 0.81 | ADORA1 (0.49) | ADORA1ADORA2AMAPTNPSR1LMNA | |
| SCHEMBL5400627 | 0.78 | MAPK1 (0.54) | ADORA1ADORA2AMAPTNPSR1MAPK1 | |
| SCHEMBL16893005 | 0.77 | ABHD6 (0.42) | ADORA2AABHD6 | |
| SCHEMBL5412969 | 0.77 | MAPK1 (0.67) | ADORA1ADORA2AMAPK1MAPK10 | |
| SCHEMBL5397397 | 0.76 | ADORA1 (0.66) | ADORA1ADORA2A |
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 |