Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 20/20 | 0.77 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.77 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.77 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.66 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.66 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.66 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.66 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.66 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.66 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.66 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2074293 | 0.95 | HDAC1 (0.70) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| SCHEMBL15513115 | 0.89 | HDAC1 (0.77) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| SCHEMBL15513389 | 0.87 | HDAC1 (1.00) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| SCHEMBL27701517 | 0.87 | HDAC1 (1.00) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| SCHEMBL15513542 | 0.87 | HDAC1 (1.00) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| SCHEMBL15513291 | 0.86 | HDAC1 (0.85) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| SCHEMBL15513096 | 0.86 | HDAC1 (1.00) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| SCHEMBL15513286 | 0.85 | HDAC1 (1.00) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| Trifluoroacetic Acid SCHEMBL2073192 | 0.84 | HDAC1 (0.71) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| Hydrochloric Acid SCHEMBL2070750 | 0.84 | HDAC1 (0.98) | HDAC1HDAC3HDAC6HDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1828171-B1 | HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ANGELETTI P IST RICHERCHE BIO (IT) | 2014-03-12 | — | — | EP | claimed |