Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 13/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 13/20 | 0.39 |
| ▸ | CDK2 | P24941 | 13/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 7/20 | 0.39 |
| ▸ | CDK1 | P06493 | 7/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 7/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 7/20 | 0.39 |
| ▸ | CDK4 | P11802 | 8/20 | 0.38 |
| ▸ | CCND1 | P24385 | 8/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PDE9A | O76083 | 1/20 | 0.37 |
| ▸ | PDE1A | P54750 | 1/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4774324 | 0.92 | ALDH1A1 (0.39) | HPGDALDH1A1KDM4EPKMCCNE2 | |
| SCHEMBL4776924 | 0.90 | HPGD (0.47) | HPGDALDH1A1KDM4EPKMCCNE2 | |
| SCHEMBL4768887 | 0.89 | ALDH1A1 (0.40) | HPGDALDH1A1KDM4EPKMCCNE2 | |
| SCHEMBL4776202 | 0.87 | ALDH1A1 (0.39) | HPGDALDH1A1KDM4EPKMCCNE2 | |
| SCHEMBL4767126 | 0.86 | HPGD (0.39) | HPGDALDH1A1KDM4EPKMCCNE2 | |
| SCHEMBL4774140 | 0.84 | HTT (0.46) | CCNE2CCNE1CDK2CCNB2CDK1 | |
| SCHEMBL4772661 | 0.79 | ALDH1A1 (0.44) | HPGDALDH1A1KDM4EPKMPOLB | |
| SCHEMBL5769313 | 0.79 | ALDH1A1 (0.47) | HPGDALDH1A1KDM4EPKMPOLB | |
| SCHEMBL4774287 | 0.78 | ALDH1A1 (0.41) | HPGDALDH1A1KDM4EPKMCCNE2 | |
| SCHEMBL4776139 | 0.78 | ALDH1A1 (0.41) | HPGDALDH1A1KDM4EPKMCCNE2 |
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 |