Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21853151 | 0.89 | CTSK (0.46) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL5317755 | 0.89 | CTSK (0.46) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL21853149 | 0.89 | CTSK (0.46) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL5129671 | 0.89 | CTSK (0.47) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL2074722 | 0.89 | CTSK (0.46) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL8056542 | 0.88 | CTSK (0.51) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL27847191 | 0.88 | CTSK (0.51) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL13040188 | 0.88 | CTSK (0.51) | CTSKHDAC4HDAC1HDAC6CTSS | |
| SCHEMBL13076509 | 0.88 | CYP1A2 (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5279118 | 0.87 | CTSK (0.50) | CTSKHDAC4HDAC1HDAC6CTSS |
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 |