Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6270187 | 0.79 | CCNE2 (0.41) | CNR2BCAT1CES2BCHECES1 | |
| SCHEMBL3038641 | 0.71 | CES2 (0.46) | CNR2BCAT1CES2BCHECES1 | |
| SCHEMBL1513514 | 0.69 | ABL1 (0.47) | CNR2CES2BCHECES1HDAC3 | |
| SCHEMBL11907633 | 0.69 | ATR (0.38) | CNR2HDAC6GRM5GSK3AGSK3B | |
| SCHEMBL14832981 | 0.69 | ALB (0.43) | BCAT1CES2BCHECES1WDR5 | |
| SCHEMBL9276928 | 0.68 | ESR2 (0.48) | CNR2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL23251236 | 0.68 | ALDH1A1 (0.47) | NPC1 | |
| SCHEMBL27341090 | 0.67 | MAOA (0.46) | BCAT1CES2BCHECES1CDK2 | |
| SCHEMBL6367917 | 0.67 | ALDH1A1 (0.44) | CES2BCHECES1PIK3CANPC1 | |
| SCHEMBL5189298 | 0.67 | CNR2 (0.51) | CNR2BCAT1HDAC3HDAC1HDAC2 |
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-A9 | PYRIMIDINE COMPOUNDS | — | 1999-02-11 | — | — | WO | disclosed |