Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.31 |
| ▸ | F2RL1 | P55085 | 3/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
| ▸ | GLS | O94925 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL19496643 | 0.74 | CES2 (0.37) | KCNH2CES2CES1TSHRGLS | |
| SCHEMBL7786189 | 0.74 | CES2 (0.44) | KCNH2CES2CES1GLS | |
| SCHEMBL16951255 | 0.73 | CES2 (0.36) | KCNH2CES2CES1GLSL3MBTL1 | |
| SCHEMBL15301598 | 0.73 | CES2 (0.36) | KCNH2CES2CES1GLSL3MBTL1 | |
| SCHEMBL8332508 | 0.73 | SIGMAR1 (0.44) | PDE4DCYP19A1TSHR | |
| SCHEMBL11994152 | 0.72 | CYP19A1 (0.43) | CYP19A1L3MBTL1 | |
| SCHEMBL29206337 | 0.71 | CES2 (0.39) | CES2CES1GLS | |
| SCHEMBL8746393 | 0.70 | CES2 (0.42) | CES2CES1GLS | |
| SCHEMBL15107633 | 0.70 | CES2 (0.33) | KCNH2CES2CES1 | |
| SCHEMBL22932917 | 0.69 | NR1I2 (0.38) | CES2CES1 |
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-0817773-B1 | PYRIMIDINE COMPOUNDS | QINETIQ LTD (GB) | 2002-06-12 | — | — | EP | disclosed |
| US-6121448-A | LIQUID CRYSTALLINE COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 2000-09-19 | — | — | US | disclosed |
| US-5986096-A | REACTION OF HYDROGEN IODIDE WITH CHLORO-5-BROMOPYRIMIDINE | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S A GOVERNMENT OF THE U.K. OF GT. BRITAIN & N. IRELAND OF DEFENCE EVALUATION & RESEARCH AGENCY (GB) | 1999-11-16 | — | — | US | disclosed |
| WO-1996030344-A2 | PYRIMIDINE COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1996-10-03 | — | — | WO | disclosed |