Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 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 | |
|---|---|---|---|---|
| SCHEMBL10518635 | 0.91 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3046353 | 0.90 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL13701326 | 0.90 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL10518765 | 0.90 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL6152103 | 0.90 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3046354 | 0.90 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL13701359 | 0.90 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL13701350 | 0.90 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL8718853 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL30121613 | 0.83 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP19A1CYP11B1CYP11B2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009114080-A2 | PROCESSES FOR PREPARING ENANTIOMERICALLY PURE DIOL AND DIOXOLANE COMPOUNDS | STIEFEL LABORATORIES, INC. (US) | 2009-09-17 | — | — | WO | disclosed |