Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL4288221 | 0.94 | HPGD (0.37) | PARP1PARP2HPGDALDH1A1KDM4E | |
| SCHEMBL4295752 | 0.85 | MEN1 (0.42) | PARP1HPGDALDH1A1KDM4EMAPT | |
| SCHEMBL4297801 | 0.78 | PDE9A (0.48) | HPGDALDH1A1KDM4EMAPTDHFR | |
| SCHEMBL4296187 | 0.78 | PDE9A (0.48) | HPGDALDH1A1KDM4EMAPTDHFR | |
| SCHEMBL4776971 | 0.76 | MEN1 (0.46) | PARP1HPGDALDH1A1KDM4EMAPT | |
| SCHEMBL4767017 | 0.75 | POLB (0.40) | PARP1HPGDALDH1A1KDM4EMAPT | |
| SCHEMBL4290696 | 0.73 | ALDH1A1 (0.38) | PARP1HPGDALDH1A1KDM4EMAPT | |
| SCHEMBL4292483 | 0.73 | PDE9A (0.36) | PARP1HPGDALDH1A1KDM4EDHFR | |
| SCHEMBL4769038 | 0.72 | MEN1 (0.44) | PARP1PARP2HPGDALDH1A1KDM4E | |
| SCHEMBL4290740 | 0.71 | MEN1 (0.42) | HPGDALDH1A1KDM4EMAPTDHFR |
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-1881988-A1 | 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LTD. (GB) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006122200-A1 | 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |