Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4515972 | 0.83 | CES2 (0.41) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL4678441 | 0.80 | CES2 (0.37) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL7331382 | 0.77 | CES2 (0.44) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL7334716 | 0.77 | CES2 (0.44) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL4679013 | 0.76 | CES2 (0.32) | CES2CES1 | |
| SCHEMBL4526203 | 0.76 | CES2 (0.42) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL7339919 | 0.74 | CES2 (0.40) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL7303987 | 0.74 | CES2 (0.41) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL4523804 | 0.73 | CES2 (0.39) | CES2CES1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL7549543 | 0.72 | NOS2 (0.39) | CES2CES1HDAC8HDAC6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0638553-A1 | Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs | Dr. Karl Thomae GmbH (DE) | 1995-02-15 | — | — | EP | disclosed |