Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | TYMP | P19971 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11075718 | 1.00 | CES2 (0.54) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL2011191 | 0.80 | CES2 (0.56) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL1777765 | 0.77 | CES2 (0.52) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL102455 | 0.77 | PARP1 (0.59) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL5804631 | 0.77 | CES2 (0.52) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL8250615 | 0.77 | CES2 (0.52) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL102454 | 0.77 | PARP1 (0.59) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL5804634 | 0.77 | CES2 (0.52) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL1777767 | 0.77 | CES2 (0.52) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7929747 | 0.76 | CES2 (0.68) | CES2CES1PARP1HDAC1HDAC6 |
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-0104940-A1 | 3-Aryl-5,6-dihydro-1,4,2-oxathiazines and their oxides | UNIROYAL, INC. (US) | 1984-04-04 | — | — | EP | disclosed |