Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | BIRC3 | Q13489 | 1/20 | 0.37 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | PTPRF | P10586 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | USP1 | O94782 | 1/20 | 0.34 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL60105 | 0.80 | ALDH1A1 (0.43) | GAAIDO1ALDH1A1NPSR1PTPRC | |
| SCHEMBL16191227 | 0.75 | GAA (0.39) | HIF1AJAK3GAAIDO1ALDH1A1 | |
| SCHEMBL12444953 | 0.75 | PIP4K2C (0.47) | PIP4K2CUSP1WDR48 | |
| SCHEMBL23109247 | 0.75 | KCNA5 (0.47) | HIF1AJAK3KDM4EGAAALDH1A1 | |
| SCHEMBL6850515 | 0.75 | KCNA5 (0.47) | HIF1AJAK3KDM4EGAAALDH1A1 | |
| SCHEMBL19332957 | 0.75 | KCNA5 (0.47) | HIF1AJAK3KDM4EGAAALDH1A1 | |
| SCHEMBL16191091 | 0.74 | KDM4E (0.44) | KDM4EGAAIDO1L3MBTL1 | |
| SCHEMBL12846948 | 0.73 | KCNA5 (0.44) | HIF1AJAK3KDM4EGAAALDH1A1 | |
| SCHEMBL11146962 | 0.71 | ADRA2A (0.39) | GAAIDO1TDO2PTPRCPTPRF | |
| SCHEMBL29233079 | 0.70 | GABRA1 (0.52) | HIF1AKDM4EGAAIDO1ALDH1A1 |
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 5 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-A9 | PYRIMIDINE COMPOUNDS | — | 1999-02-11 | — | — | WO | disclosed |
| WO-1996030344-A2 | PYRIMIDINE COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1996-10-03 | — | — | WO | disclosed |