Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.45 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11828412 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2C9HAO1KIF11HDAC8 | |
| SCHEMBL6818844 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2C9HAO1KIF11HDAC8 | |
| SCHEMBL6819022 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2C9HAO1KIF11HDAC8 | |
| SCHEMBL6822113 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2C9HAO1KIF11HDAC8 | |
| SCHEMBL6822738 | 0.81 | ESR2 (0.40) | CYP3A4CYP2C9KIF11HDAC8HDAC6 | |
| SCHEMBL7330288 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2C9HAO1KIF11HDAC8 | |
| SCHEMBL11832420 | 0.81 | HAO1 (0.43) | CYP3A4CYP2C9HAO1HDAC8HDAC6 | |
| SCHEMBL13061361 | 0.79 | CYP3A4 (0.67) | CYP3A4CYP2C9HAO1KIF11HDAC8 | |
| SCHEMBL11859241 | 0.77 | CYP3A4 (0.48) | CYP3A4CYP2C9HAO1KIF11HDAC8 | |
| SCHEMBL11828410 | 0.74 | HAO1 (0.46) | CYP3A4CYP2C9HAO1HDAC8HDAC6 |
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-2003082852-A1 | NOVEL SUBSTITUTED 1,2,4-TRIOXANES USEFUL AS ANTIMALARIAL AGENTS AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2003-10-09 | — | — | WO | disclosed |