Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CD38 | P28907 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | MLNR | O43193 | 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 | |
|---|---|---|---|---|
| SCHEMBL4784137 | 0.92 | PDK1 (0.50) | PDK1GAATSHRAOC3KDM4E | |
| SCHEMBL4733572 | 0.89 | TSHR (0.45) | PDK1GAATSHRSMOCXCR3 | |
| SCHEMBL4737958 | 0.87 | TSHR (0.48) | PDK1GAATSHRCYP3A4CYP2C9 | |
| SCHEMBL4735235 | 0.86 | GAA (0.47) | PDK1GAATSHRCYP3A4CYP2C9 | |
| SCHEMBL4736742 | 0.85 | GAA (0.46) | PDK1GAATSHRCYP3A4CYP2C9 | |
| SCHEMBL4735150 | 0.84 | TSHR (0.51) | PDK1GAATSHRAOC3KDM4E | |
| SCHEMBL4738289 | 0.84 | GAA (0.45) | PDK1GAATSHRCYP3A4CYP2C9 | |
| SCHEMBL4786168 | 0.84 | TSHR (0.47) | PDK1GAATSHRSMOKDM4E | |
| SCHEMBL4738239 | 0.83 | TSHR (0.49) | PDK1GAATSHRKDM4EMAPK14 | |
| SCHEMBL4739086 | 0.83 | TSHR (0.52) | PDK1GAATSHRCYP3A4CYP2D6 |
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-2008073461-A2 | ION CHANNEL MODULATORS | WYETH (US) | 2008-06-19 | — | — | WO | claimed |