Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | RIPK3 | Q9Y572 | 2/20 | 0.30 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | DGKZ | Q13574 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5437261 | 0.87 | MAOB (0.35) | MAPK14DAOTP53DDR1RIPK3 | |
| SCHEMBL5768791 | 0.86 | DDR1 (0.37) | DAODDR1NPSR1DGKZ | |
| SCHEMBL5768190 | 0.83 | FADS1 (0.36) | TP53KCNH2NPSR1 | |
| SCHEMBL5431222 | 0.81 | MAOB (0.34) | TP53DDR1KCNH2 | |
| SCHEMBL5768045 | 0.78 | PLA2G7 (0.36) | DAODDR1 | |
| SCHEMBL5440484 | 0.76 | DDR1 (0.39) | TP53DDR1NPSR1 | |
| SCHEMBL5431528 | 0.74 | ALDH1A2 (0.34) | TP53DDR1KCNH2 | |
| SCHEMBL5431678 | 0.72 | ALDH1A2 (0.37) | TP53DDR1KCNH2 | |
| SCHEMBL5435969 | 0.70 | MEN1 (0.35) | — | |
| SCHEMBL5768933 | 0.70 | MAT2A (0.38) | TP53NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1687306-A1 | BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LTD. (GB) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005049613-A1 | BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LIMITED (GB) | 2005-06-02 | — | — | WO | disclosed |