Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951839 | 1.00 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL6949043 | 1.00 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL6944375 | 1.00 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL16720978 | 0.91 | CYP2D6 (0.45) | CYP2D6CYP3A4CYP2C19ALDH1A1MEN1 | |
| SCHEMBL16720982 | 0.91 | CYP2D6 (0.45) | CYP2D6CYP3A4CYP2C19ALDH1A1MEN1 | |
| SCHEMBL13236709 | 0.87 | CYP2D6 (0.43) | CYP2D6CYP3A4CYP2C19ALDH1A1MEN1 | |
| SCHEMBL989553 | 0.85 | CYP2D6 (0.52) | CYP2D6CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL22553706 | 0.85 | CYP2D6 (0.52) | CYP2D6CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL6948639 | 0.85 | CYP3A4 (0.41) | CYP2D6CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL6951829 | 0.85 | CYP3A4 (0.41) | CYP2D6CYP3A4CYP2C19TSHRALDH1A1 |
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 |