Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | BRD7 | Q9NPI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL327664 | 0.78 | CYP2A6 (0.53) | CYP2A6PTGER4MAPTKMT2AALDH1A1 | |
| SCHEMBL30410104 | 0.77 | ALDH1A1 (0.40) | CYP2A6PTGER4MAPTKMT2AMAPK1 | |
| SCHEMBL30408484 | 0.77 | CYP2A6 (0.46) | CYP2A6PTGER4MAPTKMT2ANPC1 | |
| SCHEMBL30409974 | 0.76 | ERN1 (0.44) | MAPTKMT2ANPSR1ALDH1A1MEN1 | |
| SCHEMBL30409773 | 0.75 | CNR1 (0.47) | MAPTKMT2AALDH1A1MEN1GAA | |
| SCHEMBL11180624 | 0.70 | GPR3 (0.57) | CYP2A6PTGER4MAPTKMT2ANPC1 | |
| SCHEMBL1911800 | 0.67 | MAPT (0.53) | CYP2A6PTGER4MAPTKMT2ANPC1 | |
| SCHEMBL18104492 | 0.66 | PTGER4 (0.61) | CYP2A6PTGER4MAPTKMT2AMAPK1 | |
| SCHEMBL18269303 | 0.66 | PLA2G4A (0.46) | HDAC6HDAC1HDAC2PTGER4MAPT | |
| SCHEMBL18029372 | 0.65 | USP14 (0.35) | MAPTKMT2AMAPK1ALDH1A1MEN1 |
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 |