Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.45 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TPH1 | P17752 | 1/20 | 0.41 |
| ▸ | TPH2 | Q8IWU9 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 4/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | PDE9A | O76083 | 1/20 | 0.40 |
| ▸ | PDE1A | P54750 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4776816 | 0.85 | PIN1 (0.45) | HTTL3MBTL1ADORA2BADORA2AADORA1 | |
| SCHEMBL4776112 | 0.84 | HPGD (0.39) | HTTCDK2CCNE2CCNE1PDE5A | |
| SCHEMBL4768887 | 0.82 | ALDH1A1 (0.40) | HTTCDK2CCNE2CCNE1PDE5A | |
| SCHEMBL4774324 | 0.82 | ALDH1A1 (0.39) | HTTCDK2CCNE2CCNE1PDE5A | |
| SCHEMBL4767126 | 0.82 | HPGD (0.39) | HTTADORA2BADORA2ACDK2CCNE2 | |
| SCHEMBL4776924 | 0.81 | HPGD (0.47) | HTTTPH1TPH2CDK2CCNE2 | |
| SCHEMBL4776202 | 0.79 | ALDH1A1 (0.39) | HTTCDK2CCNE2CCNE1CCNB2 | |
| SCHEMBL4776139 | 0.78 | ALDH1A1 (0.41) | HTTAVPR2AVPR1ACDK2CCNE2 | |
| SCHEMBL4768853 | 0.77 | ALDH1A1 (0.43) | HTTAVPR2AVPR1ACDK2CCNE2 | |
| SCHEMBL4774287 | 0.76 | ALDH1A1 (0.41) | HTTCDK2CCNE2CCNE1CDK4 |
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 |