Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1911800 | 0.86 | MAPT (0.53) | CYP2A6MAPTALDH1A1KDM4EGAA | |
| SCHEMBL327664 | 0.83 | CYP2A6 (0.53) | CYP2A6MAPTALDH1A1KDM4EGAA | |
| SCHEMBL30409441 | 0.77 | CYP2A6 (0.39) | CYP2A6MAPTALDH1A1GAAMAPK1 | |
| SCHEMBL11180624 | 0.75 | GPR3 (0.57) | CYP2A6MAPTALDH1A1KDM4EPTGER4 | |
| SCHEMBL13236101 | 0.75 | MAPT (0.43) | CYP2A6MAPTALDH1A1KDM4EGAA | |
| SCHEMBL7726893 | 0.74 | CYP2A6 (0.48) | CYP2A6MAPTALDH1A1KDM4EALDH1A3 | |
| SCHEMBL30410104 | 0.74 | ALDH1A1 (0.40) | CYP2A6MAPTALDH1A1GAAMAPK1 | |
| SCHEMBL30409974 | 0.73 | ERN1 (0.44) | MAPTALDH1A1KDM4EGAAMEN1 | |
| SCHEMBL17673718 | 0.72 | TTR (0.46) | MAPTALDH1A1KDM4EGAAMAPK1 | |
| SCHEMBL19831270 | 0.71 | CYP2A6 (0.50) | CYP2A6MAPTALDH1A1KDM4EGAA |
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-116133658-A | Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same | 株式会社 钟根堂 | 2023-05-16 | — | — | CN | disclosed |