Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | ATP4A | P20648 | 1/20 | 0.37 |
| ▸ | ATP4B | P51164 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 3/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.33 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.33 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.33 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 3/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4728357 | 0.90 | ERBB2 (0.37) | ERBB2MINK1GRM2ATP4AATP4B | |
| SCHEMBL4600322 | 0.89 | ERBB2 (0.56) | ERBB2MINK1ATP4AATP4BRXRA | |
| SCHEMBL4602065 | 0.87 | ERBB2 (0.46) | ERBB2MINK1GRM2ATP4AATP4B | |
| SCHEMBL4726900 | 0.87 | ERBB2 (0.41) | ERBB2MINK1GRM2ATP4AATP4B | |
| SCHEMBL4732040 | 0.86 | TRPV3 (0.35) | ERBB2MINK1GRM2ATP4AATP4B | |
| SCHEMBL4728771 | 0.86 | MMP1 (0.34) | ERBB2MINK1GRM2ATP4AATP4B | |
| SCHEMBL4599664 | 0.86 | ERBB2 (0.44) | ERBB2MINK1ATP4AATP4BPPARD | |
| SCHEMBL4599925 | 0.85 | ERBB2 (0.50) | ERBB2MINK1ATP4AATP4BRXRA | |
| SCHEMBL4730718 | 0.85 | GRM2 (0.34) | ERBB2MINK1GRM2ATP4AATP4B | |
| SCHEMBL4599913 | 0.84 | ERBB2 (0.42) | ERBB2MINK1ATP4AATP4BFFAR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008034579-A1 | 2-HETEROCYCLYL-5-PHENOXYMETHYLPYRIDINE DERIVATIVES AS ANTICANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | claimed |
| WO-2008034579-A1 | 2-HETEROCYCLYL-5-PHENOXYMETHYLPYRIDINE DERIVATIVES AS ANTICANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | disclosed |