Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.56 |
| ▸ | CES1 | P23141 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16449208 | 0.98 | CES2 (0.58) | CES2CES1KDM4EDUSP3MEN1 | |
| SCHEMBL16449174 | 0.98 | CES2 (0.58) | CES2CES1KDM4EDUSP3MEN1 | |
| SCHEMBL16449209 | 0.98 | CES2 (0.58) | CES2CES1KDM4EDUSP3MEN1 | |
| SCHEMBL16449177 | 0.98 | CES2 (0.58) | CES2CES1KDM4EDUSP3MEN1 | |
| SCHEMBL16449178 | 0.94 | CES1 (0.54) | CES2CES1 | |
| SCHEMBL13967826 | 0.85 | CES2 (0.58) | CES2CES1 | |
| SCHEMBL16449173 | 0.85 | CES2 (0.50) | CES2CES1 | |
| SCHEMBL13967806 | 0.83 | CES2 (0.60) | CES2CES1 | |
| SCHEMBL13967829 | 0.83 | CES2 (0.60) | CES2CES1 | |
| SCHEMBL13967810 | 0.83 | CES2 (0.60) | CES2CES1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8952192-B2 | Phosphorylated and branched dihydroxy-pentane-dione (DPD) analogs as quorum sensing inhibitors in bacteria | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2015-02-10 | — | — | US | disclosed |