Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1758576 | 0.96 | HDAC1 (0.51) | HDAC8HDAC1NPC1RAB9AHDAC6 | |
| SCHEMBL1758604 | 0.84 | HDAC6 (0.59) | HDAC6MEN1KMT2AEPHX2 | |
| SCHEMBL1758674 | 0.84 | HDAC6 (0.52) | HDAC8HDAC1RAB9AHDAC6MEN1 | |
| SCHEMBL6878384 | 0.82 | HDAC1 (0.44) | HDAC8HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL1758695 | 0.80 | MEP1B (0.46) | HDAC8HDAC1RAB9AHDAC6MEN1 | |
| SCHEMBL15522678 | 0.77 | HDAC1 (0.74) | HDAC8HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL1759196 | 0.74 | MEN1 (0.52) | NPC1RAB9AHDAC6MEN1KMT2A | |
| SCHEMBL28060952 | 0.74 | EPHX2 (0.57) | NPC1RAB9AMEN1KMT2AP2RX7 | |
| SCHEMBL4658066 | 0.73 | CNR2 (0.58) | P2RX7EPHX2 | |
| SCHEMBL1758784 | 0.73 | NPC1 (0.48) | HDAC8NPC1RAB9AHDAC6MEN1 |
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 |