Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.37 |
| ▸ | GCGR | P47871 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30573063 | 0.80 | ADORA1 (0.49) | ADORA2AADORA1NTRK1SMN1; SMN2 | |
| SCHEMBL16695404 | 0.80 | MAPK14 (0.39) | ADORA2AADORA1ADORA2BADORA3MAPK14 | |
| SCHEMBL26606982 | 0.80 | ADORA1 (0.49) | ADORA2AADORA1NTRK1SMN1; SMN2 | |
| SCHEMBL2458840 | 0.79 | ADORA1 (0.49) | ADORA2AADORA1ADORA2BPTGS2 | |
| SCHEMBL29676754 | 0.78 | MAPK14 (0.42) | ADORA2AADORA2BMAPK14MAPK13MAPK12 | |
| SCHEMBL3944878 | 0.77 | ALDH1A1 (0.46) | ADORA2AADORA1ADORA2BADORA3MAPK14 | |
| SCHEMBL2614972 | 0.74 | APEX1 (0.44) | ADORA2AADORA1MAPK14MAPK13MAPK12 | |
| SCHEMBL25510510 | 0.74 | ADORA2A (0.40) | ADORA2AADORA1ADORA2BADORA3MAPK14 | |
| SCHEMBL30919687 | 0.73 | BTK (0.40) | ADORA2AADORA1MAPK14MAPK13MAPK12 | |
| SCHEMBL15832007 | 0.73 | ALDH1A1 (0.47) | ADORA2AADORA1 |
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-3283459-B1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2019-05-22 | — | — | EP | disclosed |