Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1758860 | 0.88 | HDAC6 (0.58) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 | |
| SCHEMBL6880270 | 0.73 | HDAC6 (0.50) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 | |
| Bufexamac SCHEMBL5076113 | 0.72 | KDM4E (1.00) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 | |
| Bufexamac SCHEMBL25215 | 0.72 | KDM4E (1.00) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 | |
| Bufexamac SCHEMBL15456779 | 0.71 | KDM4E (0.97) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 | |
| SCHEMBL1758604 | 0.70 | HDAC6 (0.59) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 | |
| SCHEMBL11296680 | 0.70 | HDAC6 (0.71) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 | |
| SCHEMBL2777642 | 0.70 | CYP1A2 (0.88) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 | |
| SCHEMBL4580666 | 0.70 | HDAC6 (0.71) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 | |
| SCHEMBL12688087 | 0.70 | HDAC6 (0.67) | KDM4EHDAC10HDAC6CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011058582-A1 | HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2011-05-19 | — | — | WO | disclosed |