Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.56 |
| ▸ | CES1 | P23141 | 4/20 | 0.56 |
| ▸ | PDPK1 | O15530 | 8/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL16721070 | 1.00 | CES2 (0.56) | CES2CES1PDPK1PTGS2ALDH1A1 | |
| SCHEMBL16721072 | 1.00 | CES2 (0.56) | CES2CES1PDPK1PTGS2ALDH1A1 | |
| SCHEMBL28271477 | 0.95 | CES2 (0.57) | CES2CES1PDPK1NAAA | |
| SCHEMBL16728092 | 0.95 | CES2 (0.57) | CES2CES1PDPK1NAAA | |
| SCHEMBL16728096 | 0.95 | CES2 (0.57) | CES2CES1PDPK1NAAA | |
| SCHEMBL27679126 | 0.93 | CES2 (0.58) | CES2CES1PDPK1NAAA | |
| SCHEMBL11323281 | 0.89 | PDPK1 (0.57) | CES2CES1PDPK1HDAC1HDAC2 | |
| SCHEMBL16721092 | 0.89 | PDPK1 (0.57) | CES2CES1PDPK1HDAC1HDAC2 | |
| SCHEMBL16721081 | 0.89 | PDPK1 (0.57) | CES2CES1PDPK1HDAC1HDAC2 | |
| SCHEMBL1375930 | 0.88 | CES2 (0.54) | CES2CES1PDPK1PTGS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015073140-A1 | 1,3,4-ALKENYL OXADIAZOLE AMINO ACID DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTORS' MODULATORS | ALLERGAN, INC. (US) | 2015-05-21 | — | — | WO | disclosed |