Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 16/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 16/20 | 0.41 |
| ▸ | PDE5A | O76074 | 3/20 | 0.40 |
| ▸ | PDE1A | P54750 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6878807 | 0.88 | HDAC1 (0.36) | HDAC1HDAC6PDE5APDE1APDE1B | |
| SCHEMBL1758740 | 0.78 | PDE5A (0.37) | HDAC1HDAC6PDE5APDE1APDE1B | |
| SCHEMBL1758679 | 0.76 | PDE5A (0.41) | HDAC6PDE5APDE1APDE1BPDE1C | |
| SCHEMBL1758713 | 0.74 | PDE5A (0.54) | PDE5APDE1APDE1BPDE1CKDM4E | |
| SCHEMBL1758576 | 0.74 | HDAC1 (0.51) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL1758697 | 0.74 | PDE5A (0.40) | HDAC1HDAC6PDE5APDE1APDE1B | |
| SCHEMBL15522909 | 0.73 | HDAC1 (0.67) | HDAC1HDAC6PDE5APDE1APDE1B | |
| SCHEMBL6881726 | 0.72 | HPGD (0.41) | — | |
| SCHEMBL1758588 | 0.71 | MEN1 (0.34) | — | |
| SCHEMBL1759205 | 0.71 | CNR2 (0.62) | PDE5APDE1APDE1BPDE1CKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011058582-A1 | HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2011-05-19 | — | — | WO | claimed |
| WO-2011058582-A1 | HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2011-05-19 | — | — | WO | disclosed |