Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAPDH | P04406 | 1/20 | 0.43 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.43 |
| ▸ | HSPA8 | P11142 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4713073 | 0.87 | GAPDH (0.47) | GAPDHHSPA1AHSPA8NR4A1MEN1 | |
| SCHEMBL4712017 | 0.83 | GAPDH (0.44) | GAPDHHSPA1AHSPA8NR4A1MEN1 | |
| SCHEMBL4715026 | 0.83 | GAPDH (0.44) | GAPDHHSPA1AHSPA8NR4A1MEN1 | |
| SCHEMBL4712217 | 0.83 | GAPDH (0.44) | GAPDHHSPA1AHSPA8NR4A1MEN1 | |
| SCHEMBL4712093 | 0.83 | GAPDH (0.44) | GAPDHHSPA1AHSPA8NR4A1MEN1 | |
| SCHEMBL4713160 | 0.83 | GAPDH (0.44) | GAPDHHSPA1AHSPA8MEN1CYP1A2 | |
| SCHEMBL4711434 | 0.82 | GAPDH (0.43) | GAPDHHSPA1AHSPA8MEN1CYP1A2 | |
| SCHEMBL4712095 | 0.81 | HSPA1A (0.47) | GAPDHHSPA1AHSPA8NR4A1MEN1 | |
| SCHEMBL4712011 | 0.76 | GAPDH (0.47) | GAPDHHSPA1AHSPA8NR4A1MEN1 | |
| SCHEMBL14516733 | 0.76 | GAPDH (0.38) | GAPDHHSPA1AHSPA8MEN1CYP1A2 |
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-2004069840-A2 | PRODUCTION OF TETRAHYDROQUINOLINE BENZOFURANS | Grünenthal GmbH (DE) | 2004-08-19 | — | — | WO | disclosed |