Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.39 |
| ▸ | PI4KA | P42356 | 3/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12775195 | 0.83 | ADORA2A (0.37) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL12775503 | 0.83 | PI4KA (0.39) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL14190719 | 0.74 | ADORA2A (0.66) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL21073962 | 0.73 | CDK1 (0.44) | — | |
| SCHEMBL19242631 | 0.70 | ADORA2A (0.66) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL14414715 | 0.70 | ADORA2A (0.53) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL22326754 | 0.69 | ADORA2A (0.69) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL12843984 | 0.68 | TLR7 (0.55) | ADORA2AADORA1CYP1A2CYP2D6MAPK1 | |
| SCHEMBL4570528 | 0.66 | ADORA2A (0.54) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13223800 | 0.65 | ADORA2A (0.48) | ADORA2API4KAPI4K2BPI4K2API4KB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008104869-A1 | NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES | PFIZER PRODUCTS INC. (US) | 2008-09-04 | — | — | WO | disclosed |
| WO-2008075172-A2 | NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES | PFIZER PRODUCTS INC. (US) | 2008-06-26 | — | — | WO | disclosed |