Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL4409811 | 0.89 | HDAC1 (0.49) | MAPTHDAC1HDAC3HDAC2HDAC6 | |
| SCHEMBL2074705 | 0.88 | HDAC1 (0.42) | HDAC1HDAC3HDAC2HDAC6HDAC4 | |
| SCHEMBL2072887 | 0.74 | HDAC1 (0.68) | HDAC1HDAC3HDAC2HDAC6HDAC4 | |
| SCHEMBL2071048 | 0.70 | MAPT (0.52) | MAPTHDAC1HDAC3HDAC2HDAC6 | |
| SCHEMBL29644567 | 0.68 | MAPT (0.55) | MAPTHDAC1HDAC3HDAC2HDAC6 | |
| SCHEMBL15513946 | 0.68 | HDAC1 (0.76) | HDAC1HDAC3HDAC2HDAC6HDAC4 | |
| SCHEMBL21715586 | 0.67 | GABRB1 (0.48) | CTSBCTSSCTSKGABRB1GABRB2 | |
| SCHEMBL9295219 | 0.66 | GABRB1 (0.50) | CTSBCTSSCTSKGABRB1GABRB2 | |
| SCHEMBL15512936 | 0.66 | HDAC1 (0.77) | HDAC1HDAC3HDAC2HDAC6HDAC4 | |
| SCHEMBL8362256 | 0.66 | GABRB1 (0.52) | CTSBCTSSCTSKGABRB1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7863294-B2 | Heterocycle derivatives as histone deacetylase (HDAC) inhibitors | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-01-04 | — | — | US | disclosed |