Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 3/20 | 0.52 |
| ▸ | WNK1 | Q9H4A3 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22716728 | 1.00 | HCAR3 (0.52) | HCAR3WNK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL931990 | 0.89 | HCAR3 (0.64) | HCAR3WNK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL20334188 | 0.86 | HCAR3 (0.66) | HCAR3WNK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL9395556 | 0.85 | HCAR3 (0.64) | HCAR3WNK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL18808024 | 0.84 | HCAR3 (0.52) | HCAR3WNK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL28691307 | 0.80 | MAPK1 (0.56) | HCAR3WNK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL20985280 | 0.79 | HCAR3 (0.64) | HCAR3WNK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL20985278 | 0.79 | HCAR3 (0.64) | HCAR3WNK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL22725025 | 0.79 | HCAR3 (0.49) | HCAR3WNK1MAPTMAPK1ALDH1A1 | |
| SCHEMBL2636248 | 0.77 | HCAR3 (0.48) | HCAR3WNK1MAPTMAPK1ALDH1A1 |
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-113924296-B | 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same | 株式会社 钟根堂 | 2024-09-17 | — | — | CN | disclosed |