Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 7/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15343048 | 0.83 | KDM4E (0.47) | PIK3CAFAAHCYP1A2CLK4ALDH1A1 | |
| SCHEMBL16664969 | 0.83 | KDM4E (0.47) | PIK3CAFAAHCYP1A2CLK4ALDH1A1 | |
| SCHEMBL16664954 | 0.82 | FAAH (0.46) | PIK3CAFAAHCYP1A2CLK4ALDH1A1 | |
| SCHEMBL16660259 | 0.82 | KDM4E (0.52) | PIK3CAFAAHCYP1A2CLK4ALDH1A1 | |
| SCHEMBL16665002 | 0.81 | PIK3CA (0.45) | PIK3CAFAAHCYP1A2CLK4ALDH1A1 | |
| SCHEMBL18627034 | 0.79 | PIK3CA (0.43) | PIK3CAFAAHCYP1A2CLK4ALDH1A1 | |
| SCHEMBL18902711 | 0.78 | CYP1A2 (0.53) | FAAHCYP1A2CLK4ALDH1A1HSD17B10 | |
| SCHEMBL16664982 | 0.77 | CYP1A2 (0.49) | PIK3CAFAAHCYP1A2CLK4ALDH1A1 | |
| SCHEMBL16664983 | 0.77 | SYK (0.45) | PIK3CAFAAHCYP1A2CLK4ALDH1A1 | |
| SCHEMBL16664949 | 0.77 | FLT3 (0.39) | PIK3CAFAAHCYP1A2CLK4ALDH1A1 |
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-2015058031-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-23 | — | — | WO | disclosed |