Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16449178 | 0.86 | CES1 (0.54) | CES2CES1ALDH1A1 | |
| SCHEMBL16449175 | 0.85 | CES2 (0.56) | CES2CES1 | |
| SCHEMBL13967825 | 0.83 | CES2 (0.52) | CES2CES1FFAR3HDAC3HDAC1 | |
| SCHEMBL16449209 | 0.83 | CES2 (0.58) | CES2CES1 | |
| SCHEMBL16449174 | 0.83 | CES2 (0.58) | CES2CES1 | |
| SCHEMBL16449177 | 0.83 | CES2 (0.58) | CES2CES1 | |
| SCHEMBL16449208 | 0.83 | CES2 (0.58) | CES2CES1 | |
| SCHEMBL13550945 | 0.80 | OR51E2 (0.43) | FFAR3OR51E2ALDH1A1 | |
| SCHEMBL16449176 | 0.80 | OR51E2 (0.43) | FFAR3OR51E2ALDH1A1 | |
| SCHEMBL9362108 | 0.77 | CES1 (0.58) | CES2CES1FFAR3HDAC3HDAC1 |
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 |