Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.47 |
| ▸ | CNR2 | P34972 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.45 |
| ▸ | CASP7 | P55210 | 3/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | GLA | P06280 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30410104 | 0.90 | ALDH1A1 (0.40) | CNR1CNR2ERN1ALDH1A1KMT2A | |
| SCHEMBL30409974 | 0.89 | ERN1 (0.44) | CNR1CNR2HSD17B10CASP1CASP7 | |
| SCHEMBL30409441 | 0.75 | CYP2A6 (0.39) | ALDH1A1KMT2AMEN1GAAHTT | |
| SCHEMBL3357288 | 0.74 | CNR2 (0.46) | CNR1CNR2HSD17B10CASP1CASP7 | |
| SCHEMBL13537329 | 0.74 | CNR2 (0.44) | CNR1CNR2HSD17B10CASP1CASP7 | |
| SCHEMBL327664 | 0.72 | CYP2A6 (0.53) | HSD17B10ALDH1A1KMT2AMEN1ALDH1A3 | |
| SCHEMBL4246003 | 0.72 | POLB (0.50) | ALDH1A1KDM4EGAAHPGDPOLB | |
| SCHEMBL3353157 | 0.72 | MAPT (0.55) | CNR1CNR2ALDH1A1KMT2AMEN1 | |
| SCHEMBL30408484 | 0.72 | CYP2A6 (0.46) | ALDH1A1KMT2AMEN1ALDH1A3KDM4E | |
| SCHEMBL207661 | 0.69 | HRH3 (0.65) | ALDH1A1ALDH3A1ALDH1A3HPGDHTT |
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 |