Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.44 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24059350 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL16523335 | 0.87 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL30139349 | 0.87 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL5912870 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL20365722 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL24136282 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL8915775 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL3793619 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL4462716 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL23600027 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 |
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-2014117318-A1 | NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF | 中国科学院上海药物研究所 (CN) | 2014-08-07 | — | — | WO | disclosed |