Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL28053578 | 0.90 | ALDH1A1 (0.33) | ALDH1A1GAAMEN1HSP90AA1KMT2A | |
| Acetic Acid SCHEMBL2031474 | 0.86 | ALDH1A1 (0.35) | ALDH1A1GAAMEN1HSP90AA1KMT2A | |
| SCHEMBL17418977 | 0.85 | — | — | |
| SCHEMBL17418420 | 0.83 | — | — | |
| Propionic Acid SCHEMBL2451728 | 0.83 | ALDH1A1 (0.30) | ALDH1A1GAA | |
| Butyric Acid SCHEMBL509159 | 0.83 | FFAR3 (0.47) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28779426 | 0.82 | ALDH1A1 (0.33) | ALDH1A1GAA | |
| Methoxyacetic Acid SCHEMBL17418914 | 0.82 | ALDH1A1 (0.31) | ALDH1A1GAA | |
| Trifluoroacetic Acid SCHEMBL4558165 | 0.81 | ALDH1A1 (0.35) | ALDH1A1GAA | |
| SCHEMBL173392 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102928452-B | A kind of assay method of imidazole type ion liquid negative ion hydrogen bond Forming ability | HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-01-20 | — | — | CN | disclosed |