Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 1/20 | 0.34 |
| ▸ | ATP4B | P51164 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4599860 | 0.91 | ATP4A (0.37) | ATP4AATP4BPPARDERBB2MINK1 | |
| SCHEMBL4726900 | 0.90 | ERBB2 (0.41) | ATP4AATP4BERBB2MINK1GRM2 | |
| SCHEMBL4728357 | 0.88 | ERBB2 (0.37) | ATP4AATP4BPPARDERBB2MINK1 | |
| SCHEMBL4591853 | 0.87 | ATP4A (0.37) | ATP4AATP4BPPARDERBB2MINK1 | |
| SCHEMBL4730017 | 0.86 | PSEN1 (0.34) | ATP4AATP4BPPARDGRM2 | |
| SCHEMBL4730015 | 0.86 | PPARD (0.34) | ATP4AATP4BPPARDGRM2 | |
| SCHEMBL4784067 | 0.85 | PPARD (0.32) | ATP4AATP4BPPARD | |
| SCHEMBL4600061 | 0.85 | ERBB2 (0.45) | ATP4AATP4BPPARDERBB2MINK1 | |
| SCHEMBL4599602 | 0.85 | PPARD (0.39) | ATP4AATP4BPPARDERBB2MINK1 | |
| SCHEMBL4600066 | 0.82 | ERBB2 (0.41) | ATP4AATP4BPPARDERBB2MINK1 |
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 |