Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866039 | 0.83 | MMP2 (0.31) | MMP2ESR1ESR2TRPA1CYP3A4 | |
| SCHEMBL12694277 | 0.77 | NPC1 (0.38) | — | |
| SCHEMBL13992794 | 0.76 | ESR1 (0.34) | ESR1ESR2 | |
| SCHEMBL547818 | 0.75 | — | — | |
| SCHEMBL7809041 | 0.69 | KIF11 (0.34) | NR1H2NR1H3CYP3A4 | |
| SCHEMBL419053 | 0.69 | — | — | |
| SCHEMBL5929603 | 0.68 | CYP2C19 (0.44) | ESR1ESR2TRPA1CYP3A4 | |
| SCHEMBL16312772 | 0.68 | — | — | |
| SCHEMBL27267408 | 0.67 | CYP2C19 (0.44) | ESR1ESR2CYP3A4 | |
| Benzene SCHEMBL27889448 | 0.67 | CYP2C19 (0.44) | ESR1ESR2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1915053-A2 | NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES | Merck & Co., Inc. (US) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007022073-A2 | NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES | MERCK & CO., INC. (US) | 2007-02-22 | — | — | WO | disclosed |