Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 3/20 | 0.31 |
| ▸ | STS | P08842 | 1/20 | 0.30 |
| ▸ | TAS2R14 | Q9NYV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6948639 | 0.91 | CYP3A4 (0.41) | POLBCYP3A4CYP2C19TAS2R14 | |
| SCHEMBL6951829 | 0.91 | CYP3A4 (0.41) | POLBCYP3A4CYP2C19TAS2R14 | |
| SCHEMBL5831941 | 0.83 | BACE1 (0.36) | CYP3A4 | |
| SCHEMBL5831935 | 0.83 | BACE1 (0.36) | CYP3A4 | |
| SCHEMBL21987331 | 0.82 | CYP3A4 (0.46) | CYP3A4CYP2C19 | |
| SCHEMBL21222072 | 0.82 | BACE1 (0.36) | CYP3A4 | |
| SCHEMBL22614223 | 0.82 | BACE1 (0.36) | CYP3A4 | |
| SCHEMBL21222073 | 0.82 | BACE1 (0.36) | CYP3A4 | |
| SCHEMBL6951863 | 0.77 | BACE1 (0.34) | — | |
| SCHEMBL6941416 | 0.76 | CHRNA7 (0.43) | STS |
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-1235832-B1 | VITAMIN D PRESCURSORS, METHOD AND INTERMEDIATES | THERAMEX (MC) | 2003-11-19 | — | — | EP | disclosed |
| EP-1106618-A1 | Precursors of the A-ring of vitamin D, and method and intermediates for the preparation thereof | LABORATOIRE THERAMEX (MC) | 2001-06-13 | — | — | EP | disclosed |
| US-6191292-B1 | ENZYMATIC ESTERIFICATION OF A DIOL, E.G., METHYL-3-ACETOXY-5-HYDROXY-CYCLOHEXANECARBOXYLATE BY A LIPASE AND VINYL ALKANOATE OR AN ACID ANHYDRIDE; CYCLIZATION TO A BICYCLIC(3.1.0)HEXANE DERIVATIVE | LABORATOIRE THERAMEX (MC) | 2001-02-20 | — | — | US | disclosed |