Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | BCL2 | P10415 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CDC25A | P30304 | 1/20 | 0.32 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8780227 | 0.88 | HMGCR (0.50) | HMGCRMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9194475 | 0.82 | HMGCR (0.45) | HMGCRMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9193916 | 0.81 | PTGS2 (0.33) | PTGS2RPS6KA3PTGS1CA1CA2 | |
| SCHEMBL9197287 | 0.75 | HMGCR (0.38) | HMGCRMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9193961 | 0.73 | PTPN5 (0.50) | CYP1A2PTGS2RPS6KA3PTGS1CA1 | |
| SCHEMBL15177384 | 0.72 | CA1 (0.59) | CYP1A2PTGS2RPS6KA3PTGS1CA1 | |
| SCHEMBL8780157 | 0.72 | PTGS2 (0.37) | HMGCRPTGS2RPS6KA3CA1CA2 | |
| SCHEMBL4069702 | 0.70 | HSP90AA1 (0.44) | PTGS2RPS6KA3PTGS1AKR1C3AKR1C2 | |
| SCHEMBL9512239 | 0.70 | CA1 (0.53) | HMGCRCYP1A2RPS6KA3PTGS1CA1 | |
| SCHEMBL8780176 | 0.68 | GABRA1 (0.50) | HMGCRRPS6KA3CA1CA2GCGR |
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-0418648-B1 | 4-Hydroxytetrahydropyran-2-ones as well as the corresponding dehydroxy carbon acid derivatives, salts and esters, process for their preparation, pharmaceutical preparations as well as precursors | HOECHST AG (DE) | 1995-01-11 | — | — | EP | disclosed |
| US-5294724-A | Anticholesterol agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-03-15 | — | — | US | disclosed |
| EP-0418648-A1 | 4-Hydroxytetrahydropyran-2-ones as well as the corresponding dehydroxy carbon acid derivatives, salts and esters, process for their preparation, pharmaceutical preparations as well as precursors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-03-27 | — | — | EP | disclosed |