Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DDO | Q99489 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.36 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL106575 | 0.86 | — | — | |
| SCHEMBL27550564 | 0.84 | HCAR2 (0.94) | HCAR2ALDH1A1APPGAAHCAR3 | |
| Hydrochloric Acid SCHEMBL6741706 | 0.84 | HCAR2 (0.94) | HCAR2ALDH1A1APPGAAHCAR3 | |
| Lithium SCHEMBL30194865 | 0.84 | HCAR2 (0.94) | HCAR2ALDH1A1APPGAAHCAR3 | |
| Trifluoroacetic Acid SCHEMBL29618256 | 0.83 | HCAR2 (0.50) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL27698110 | 0.83 | HCAR2 (0.50) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL29699595 | 0.83 | HCAR2 (0.50) | HCAR2ALDH1A1KDM4EBCAT2PLOD2 | |
| Formaldehyde SCHEMBL28203822 | 0.81 | HCAR2 (0.90) | HCAR2ALDH1A1APPGAAHCAR3 | |
| Urea SCHEMBL28229729 | 0.79 | HCAR2 (0.85) | HCAR2ALDH1A1APPGAAHCAR3 | |
| Methylamine SCHEMBL27659538 | 0.79 | HCAR2 (0.85) | HCAR2ALDH1A1APPGAAHCAR3 |
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-109942564-A | A kind of histon deacetylase (HDAC) inhibitor and its preparation method and application | 四川大学华西医院 | 2019-06-28 | — | — | CN | disclosed |