Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 8/20 | 0.48 |
| ▸ | CNR1 | P21554 | 3/20 | 0.46 |
| ▸ | CNR2 | P34972 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | QSOX1 | O00391 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL7912521 | 0.90 | HDAC3 (0.59) | HDAC3HDAC6MAPTCNR1CNR2 | |
| SCHEMBL3468407 | 0.87 | MAPT (0.56) | HDAC3HDAC6MAPTHDAC1HDAC2 | |
| SCHEMBL3467483 | 0.87 | GAA (0.60) | HDAC3HDAC6MAPTCNR1CNR2 | |
| SCHEMBL3467874 | 0.87 | HDAC6 (0.57) | HDAC3HDAC6MAPTCNR1CNR2 | |
| SCHEMBL3467478 | 0.87 | MAPT (0.54) | HDAC3HDAC6MAPTCNR1CNR2 | |
| SCHEMBL3467891 | 0.85 | HDAC6 (0.54) | HDAC3HDAC6MAPTCNR1CNR2 | |
| SCHEMBL3467664 | 0.85 | HDAC6 (0.54) | HDAC3HDAC6MAPTCNR1CNR2 | |
| SCHEMBL3467448 | 0.84 | GAA (0.54) | HDAC3HDAC6MAPTCNR1CNR2 | |
| SCHEMBL7921598 | 0.83 | HDAC6 (0.55) | HDAC3HDAC6CNR1CNR2HDAC1 | |
| SCHEMBL3467570 | 0.82 | HDAC6 (0.54) | HDAC3HDAC6MAPTCNR1CNR2 |
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-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 |