Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 6/20 | 0.34 |
| ▸ | AVPR2 | P30518 | 4/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.31 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.31 |
| ▸ | CBFB | Q13951 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL4776108 | 0.97 | KDM4E (0.38) | KDM4EALDH1A1HPGDPKMPARP1 | |
| SCHEMBL4776139 | 0.88 | ALDH1A1 (0.41) | KDM4EALDH1A1HPGDPKMPARP1 | |
| SCHEMBL4766933 | 0.86 | KDM4E (0.39) | KDM4EALDH1A1HPGDPKMPARP1 | |
| SCHEMBL4768853 | 0.85 | ALDH1A1 (0.43) | KDM4EALDH1A1HPGDPKMPARP1 | |
| SCHEMBL4776971 | 0.83 | MEN1 (0.46) | KDM4EALDH1A1HPGDPKMPARP1 | |
| SCHEMBL4776027 | 0.83 | HPGD (0.35) | KDM4EALDH1A1HPGDPKMAVPR2 | |
| SCHEMBL4290620 | 0.82 | PDE9A (0.45) | KDM4EALDH1A1HPGDPKMAVPR2 | |
| SCHEMBL4767057 | 0.78 | AVPR2 (0.38) | KDM4EALDH1A1HPGDPKMPARP1 | |
| SCHEMBL4292483 | 0.76 | PDE9A (0.36) | KDM4EALDH1A1HPGDPKMPARP1 | |
| SCHEMBL4772661 | 0.75 | ALDH1A1 (0.44) | KDM4EALDH1A1HPGDPKMPARP1 |
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 |