Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 16/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 15/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 14/20 | 0.46 |
| ▸ | TSHR | P16473 | 12/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.43 |
| ▸ | USP2 | O75604 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 5/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL15343321 | 0.85 | CYP1A2 (0.45) | CYP1A2CLK4CYP3A4CYP2C19TSHR | |
| SCHEMBL16664987 | 0.83 | CYP1A2 (0.46) | CYP1A2CLK4CYP3A4CYP2C19TSHR | |
| SCHEMBL16664934 | 0.75 | CYP1A2 (0.39) | CYP1A2CLK4CYP3A4CYP2C19TSHR | |
| SCHEMBL16664990 | 0.75 | MAPT (0.45) | CYP1A2CLK4CYP3A4CYP2C19TSHR | |
| SCHEMBL19905177 | 0.73 | CYP1A2 (0.42) | CYP1A2CLK4CYP3A4CYP2C19TSHR | |
| SCHEMBL16664979 | 0.70 | FAAH (0.39) | CYP1A2CLK4CYP3A4CYP2C19TSHR | |
| SCHEMBL16665010 | 0.70 | FAAH (0.41) | CYP1A2CLK4CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL16664967 | 0.69 | CYP1A2 (0.45) | CYP1A2CLK4CYP3A4CYP2C19TSHR | |
| SCHEMBL16664919 | 0.69 | PIK3CA (0.44) | CYP1A2CLK4CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL16664969 | 0.69 | KDM4E (0.47) | CYP1A2CLK4CYP3A4CYP2C19ALDH1A1 |
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 |