Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | GLS2 | Q9UI32 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738887 | 0.82 | GPR84 (0.46) | ACHEBACE1PTPN1GPR84KCNH2 | |
| SCHEMBL31264315 | 0.82 | GPR84 (0.46) | ACHEBACE1PTPN1GPR84KCNH2 | |
| SCHEMBL27325161 | 0.82 | GPR84 (0.46) | ACHEBACE1PTPN1GPR84KCNH2 | |
| SCHEMBL980668 | 0.77 | — | — | |
| SCHEMBL5502964 | 0.74 | SCD (0.35) | ACHEKCNH2PTGS2 | |
| SCHEMBL18076301 | 0.74 | SCD (0.35) | ACHEKCNH2PTGS2 | |
| SCHEMBL32665724 | 0.74 | SCD (0.35) | ACHEKCNH2PTGS2 | |
| SCHEMBL364755 | 0.74 | GPR84 (0.37) | ACHEBACE1PTPN1GPR84 | |
| SCHEMBL2160075 | 0.74 | SCD (0.35) | ACHEKCNH2PTGS2 | |
| SCHEMBL28309887 | 0.74 | SCD (0.35) | ACHEKCNH2PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1255747-B1 | SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | EP | disclosed |
| EP-1255747-A2 | SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE | F. HOFFMANN-LA ROCHE AG (CH) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001057014-A2 | SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE | F. HOFFMANN-LA ROCHE AG (CH) | 2001-08-09 | — | — | WO | disclosed |