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 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25501698 | 0.80 | CES2 (0.61) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL8761571 | 0.79 | CES2 (0.60) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL16955426 | 0.77 | CES2 (0.58) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL22745754 | 0.77 | HTT (0.49) | PARP1CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL22670326 | 0.77 | F2 (0.48) | PTGS1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL29433355 | 0.77 | F2 (0.48) | PTGS1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL16953336 | 0.77 | CES2 (0.62) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL6862739 | 0.76 | CES2 (0.56) | CES2CES1PARP1PTGS1PTGS2 | |
| SCHEMBL12444117 | 0.76 | CES2 (0.68) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL69483 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020242046-A1 | FLUOROALKENE COMPOUND PRECURSOR, METHOD FOR SYNTHESIZING PRECURSOR, AND METHOD FOR PREPARING FLUOROALKENE COMPOUND BY USING PRECURSOR | 전남대학교산학협력단 | 2020-12-03 | — | — | WO | disclosed |