Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 2/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 9/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 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 SCHEMBL3950645 | 0.96 | TRPV4 (0.34) | CACNA1BTRPV4 | |
| SCHEMBL13032060 | 0.95 | TRPV4 (0.36) | TRPV4 | |
| Hydrochloric Acid SCHEMBL3939326 | 0.94 | TRPV4 (0.36) | TRPV4 | |
| Hydrochloric Acid SCHEMBL3939307 | 0.94 | TRPV4 (0.36) | TRPV4 | |
| Trifluoroacetic Acid SCHEMBL3948279 | 0.92 | TRPV4 (0.33) | TRPV4 | |
| SCHEMBL14943041 | 0.90 | TRPV4 (0.35) | TRPV4 | |
| SCHEMBL14943022 | 0.89 | TRPV4 (0.35) | TRPV4 | |
| SCHEMBL14931180 | 0.88 | TRPV4 (0.36) | TRPV4 | |
| SCHEMBL13032208 | 0.87 | TRPV4 (0.35) | TRPV4 | |
| Trifluoroacetic Acid SCHEMBL4199110 | 0.87 | CACNA1B (0.34) | CACNA1BTRPV4CA12CA1CA2 |
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 4 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 | claimed |
| WO-2008073142-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-06-19 | — | — | WO | claimed |
| 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 |