Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 3/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 7/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4158728 | 0.96 | CACNA1B (0.36) | PLA2G7CACNA1BSLC22A12AR | |
| SCHEMBL13031987 | 0.96 | SLC22A12 (0.34) | PLA2G7SLC22A12ARTRPV4 | |
| SCHEMBL14943082 | 0.93 | SLC22A12 (0.34) | PLA2G7SLC22A12ARTRPV4 | |
| SCHEMBL16684159 | 0.91 | PLA2G7 (0.33) | PLA2G7SLC22A12ARTRPV4 | |
| SCHEMBL16684145 | 0.88 | AR (0.33) | PLA2G7ARTRPV4 | |
| SCHEMBL13032081 | 0.88 | TRPV4 (0.36) | PLA2G7SLC22A12ARTRPV4 | |
| SCHEMBL13031985 | 0.87 | TRPV4 (0.36) | TRPV4 | |
| SCHEMBL14942995 | 0.86 | CYP1A2 (0.32) | AR | |
| SCHEMBL16684158 | 0.86 | CYP1A2 (0.32) | AR | |
| SCHEMBL12979721 | 0.85 | AR (0.33) | PLA2G7SLC22A12AR |
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-2049200-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MethylGene Inc. (CA) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008073142-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-06-19 | — | — | WO | disclosed |