Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | ALB | P02768 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA4 | P22748 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL2349559 | 0.91 | CES2 (0.60) | CES2CES1ALBALDH1A1ALOX15 | |
| Carbamic Acid SCHEMBL2145835 | 0.89 | CES2 (0.58) | CES2CES1ALBALDH1A1ALOX15 | |
| Methyl Alcohol SCHEMBL20994106 | 0.89 | CES2 (0.62) | CES2CES1ALBALDH1A1ALOX15 | |
| Fluoromethane SCHEMBL28310900 | 0.89 | CES2 (0.62) | CES2CES1ALBALDH1A1ALOX15 | |
| SCHEMBL97828 | 0.89 | CES2 (0.68) | CES2CES1ALBALDH1A1ALOX15 | |
| SCHEMBL29362443 | 0.89 | CES2 (0.68) | CES2CES1ALBALDH1A1ALOX15 | |
| SCHEMBL30968201 | 0.89 | CES2 (0.68) | CES2CES1ALBALDH1A1ALOX15 | |
| SCHEMBL27919030 | 0.88 | CES2 (0.56) | CES2CES1ALBALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL23201659 | 0.87 | CES2 (0.65) | CES2CES1ALBALDH1A1ALOX15 | |
| Fluoride SCHEMBL6442891 | 0.87 | CES2 (0.65) | CES2CES1ALBALDH1A1ALOX15 |
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-2008100202-A1 | A 2-F LUOROBENZOATE SALT AND A 2, 6-DIF LUOROBENZOATE SALT OF N-{5-CHLORO-2- [ ( (2S) -3-{ [1- (4-CHLOROBENZYL)PIPERIDIN-4- YL ] AMINO } - 2 - HYDROXY- 2 -ME T HYLPR OPYL ) OXY] - 4 - HYDROXYPHENYL } ACETAMIDE | ASTRAZENECA AB (SE) | 2008-08-21 | — | — | WO | disclosed |