Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 7/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29681010 | 1.00 | MTOR (0.39) | MTORPIK3CAPDE4APDE4BPDE4C | |
| SCHEMBL24528608 | 0.84 | ADORA2A (0.52) | PTGS1CYP2A6ADORA2AADORA1RAB9A | |
| SCHEMBL29681048 | 0.84 | ADORA2A (0.52) | PTGS1CYP2A6ADORA2AADORA1RAB9A | |
| SCHEMBL29681221 | 0.77 | ADORA2A (0.45) | PIK3CAPDE4BPTGS1CYP2A6ADORA2A | |
| SCHEMBL24528629 | 0.77 | ADORA2A (0.45) | PIK3CAPDE4BPTGS1CYP2A6ADORA2A | |
| SCHEMBL19106707 | 0.75 | PDE4A (0.49) | MTORPIK3CAPDE4APDE4BPDE4C | |
| SCHEMBL19106706 | 0.75 | PDE4A (0.49) | MTORPIK3CAPDE4APDE4BPDE4C | |
| SCHEMBL23637787 | 0.72 | ALDH1A1 (0.46) | CYP2A6SMN1; SMN2MAPT | |
| SCHEMBL24528628 | 0.72 | ADORA2A (0.34) | MTORPIK3CAPDE4APDE4BPDE4C | |
| SCHEMBL30488661 | 0.70 | DRD1 (0.45) | CYP2A6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022129376-A1 | 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2022-06-23 | — | — | WO | disclosed |