Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | LTB4R | Q15722 | 5/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | TOP1 | P11387 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL1366924 | 0.84 | HDAC1 (0.59) | PARP1HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL10135252 | 0.75 | PARP1 (0.70) | PARP1LTB4RCYP1B1TOP2A | |
| SCHEMBL7283175 | 0.72 | MAPT (0.51) | PARP1TOP2A | |
| SCHEMBL14046155 | 0.70 | GAA (0.54) | PARP1TOP2A | |
| SCHEMBL11993877 | 0.69 | HDAC1 (0.41) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL25008206 | 0.66 | HDAC1 (0.45) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL4969520 | 0.65 | PARP1 (1.00) | PARP1 | |
| SCHEMBL22201125 | 0.64 | HDAC1 (0.61) | HDAC1HDAC2HDAC8HDAC6HDAC3 | |
| SCHEMBL18100371 | 0.63 | PARP1 (0.51) | PARP1 | |
| SCHEMBL14027310 | 0.63 | GPR3 (0.44) | PARP1TOP2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2966078-A2 | Inhibitors of histone deacetylase | MethylGene Inc. (CA) | 2016-01-13 | — | — | EP | disclosed |
| EP-2343286-A1 | Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase | Methylgene, Inc. (CA) | 2011-07-13 | — | — | EP | disclosed |