Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE9A | O76083 | 7/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL142922 | 0.68 | QTRT1 (0.42) | CDK2 | |
| SCHEMBL546663 | 0.66 | TYMS (0.40) | — | |
| SCHEMBL546930 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL6857232 | 0.65 | PKM (0.46) | — | |
| SCHEMBL7883156 | 0.64 | PDE9A (0.49) | PDE9APDE1CCDC7CCNE1CDK2 | |
| SCHEMBL10590403 | 0.63 | NLRP3 (0.40) | PDE9A | |
| SCHEMBL7543801 | 0.61 | PARP1 (0.55) | IDO1 | |
| SCHEMBL25364009 | 0.61 | TNKS2 (0.56) | IDO1 | |
| SCHEMBL4337068 | 0.61 | PAX3 (0.39) | ADORA1 | |
| SCHEMBL6141781 | 0.60 | MAPT (0.43) | PDE9AIDO1PDE5AADORA2AADORA2B |
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 |