Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.46 |
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467494 | 0.90 | HDAC1 (0.55) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3468955 | 0.88 | NPC1 (0.51) | HDAC1HDAC6HDAC2HDAC3KDM4E | |
| SCHEMBL3467572 | 0.86 | HDAC1 (0.51) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3468891 | 0.86 | HDAC1 (0.44) | HDAC1HDAC6KDRHDAC2HDAC3 | |
| SCHEMBL3467644 | 0.83 | HDAC1 (0.52) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3467960 | 0.81 | HDAC1 (0.51) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL7919685 | 0.80 | HDAC1 (0.47) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3467482 | 0.79 | MAPT (0.52) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3467299 | 0.79 | HDAC1 (0.53) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3467367 | 0.78 | CNR2 (0.51) | HDAC1HDAC6HDAC3HTTMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | claimed |
| WO-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | disclosed |