Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 6/20 | 0.36 |
| ▸ | DDR1 | Q08345 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5768791 | 0.91 | DDR1 (0.37) | PLA2G7DDR1CYP3A4CYP2D6GPBAR1 | |
| SCHEMBL5768933 | 0.91 | MAT2A (0.38) | PLA2G7CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL5429529 | 0.87 | DDR1 (0.38) | PLA2G7DDR1CYP3A4CYP2D6GPBAR1 | |
| SCHEMBL5434705 | 0.81 | DDR1 (0.39) | DDR1 | |
| SCHEMBL5769775 | 0.80 | NPSR1 (0.37) | ALDH1A1 | |
| SCHEMBL5440484 | 0.79 | DDR1 (0.39) | DDR1ALDH1A1 | |
| SCHEMBL5769734 | 0.78 | MAPK14 (0.31) | DDR1DAO | |
| SCHEMBL5437043 | 0.78 | MAT2A (0.42) | CYP3A4CYP2D6P2RX7 | |
| SCHEMBL5768190 | 0.76 | FADS1 (0.36) | — | |
| SCHEMBL5432523 | 0.76 | MAOB (0.37) | DDR1 |
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 4 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 | claimed |
| 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 | claimed |
| 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 |