Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | GGPS1 | O95749 | 5/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL29681221 | 1.00 | ADORA2A (0.45) | ADORA2AGGPS1FDPSPTGS1CYP2A6 | |
| SCHEMBL29680643 | 0.83 | PTGS1 (0.37) | ADORA2APTGS1CYP2A6CHEK1AURKA | |
| SCHEMBL24528684 | 0.83 | PTGS1 (0.37) | ADORA2APTGS1CYP2A6CHEK1AURKA | |
| SCHEMBL16685612 | 0.80 | ADORA2A (0.68) | ADORA2AGGPS1FDPSPDE4BDHODH | |
| SCHEMBL29681010 | 0.77 | MTOR (0.39) | ADORA2APTGS1CYP2A6PDE4BMAPT | |
| SCHEMBL24528637 | 0.77 | MTOR (0.39) | ADORA2APTGS1CYP2A6PDE4BMAPT | |
| SCHEMBL23637787 | 0.73 | ALDH1A1 (0.46) | CYP2A6ALDH1A1MAPT | |
| SCHEMBL24528664 | 0.73 | ADORA2A (0.34) | ADORA2AALDH1A1LMNA | |
| SCHEMBL30488661 | 0.71 | DRD1 (0.45) | CYP2A6ALDH1A1MAPT | |
| SCHEMBL19106711 | 0.69 | ADORA2A (0.49) | ADORA2AAURKAAURKBALDH1A1MAPT |
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 |