Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 3/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GNRHR | P30968 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5655389 | 0.82 | ADORA2A (0.38) | ADORA2AADORA2BADORA1PDE4APDE4B | |
| SCHEMBL22670750 | 0.82 | ADORA2A (0.38) | ADORA2AADORA2BADORA1PDE4APDE4B | |
| Hydrochloric Acid SCHEMBL5657506 | 0.81 | ADORA2A (0.37) | ADORA2AADORA2BADORA1PDE4APDE4B | |
| SCHEMBL20011271 | 0.77 | FDPS (0.44) | ADORA2AADORA2BADORA1PDE4APDE4B | |
| SCHEMBL27417643 | 0.77 | GNRHR (0.34) | ADORA2AADORA2BADORA1PDE4APDE4B | |
| SCHEMBL22546477 | 0.73 | ADORA2A (0.40) | ADORA2AADORA2BADORA1PDE4APDE4B | |
| SCHEMBL21227160 | 0.71 | ADORA2A (0.34) | ADORA2AADORA2BADORA1 | |
| SCHEMBL21227159 | 0.70 | CYP2C19 (0.36) | ADORA2AADORA2BADORA1ALDH1A1KMT2A | |
| Bromide SCHEMBL28665814 | 0.69 | ADORA2A (0.32) | ADORA2AADORA1 | |
| SCHEMBL13384141 | 0.69 | ALDH1A1 (0.40) | ADORA2AADORA2BADORA1PDE4APDE4B |
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-3564235-A1 | SUBSTITUTED AROMATIC N-HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE INTERACTING KINASE 1 (MNK1) AND 2 (MNK2) | Northwestern University (US) | 2019-11-06 | — | — | EP | disclosed |