Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 10/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.45 |
| ▸ | CNR2 | P34972 | 4/20 | 0.45 |
| ▸ | EGFR | P00533 | 3/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467960 | 0.94 | HDAC1 (0.51) | HDAC1HDAC6MAPTGAAHDAC3 | |
| SCHEMBL3467644 | 0.91 | HDAC1 (0.52) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL7919685 | 0.89 | HDAC1 (0.47) | HDAC1HDAC6MAPTHDAC3HDAC2 | |
| SCHEMBL3467092 | 0.89 | CNR2 (0.46) | HDAC1HDAC6MAPTHDAC3HDAC2 | |
| SCHEMBL3467448 | 0.89 | GAA (0.54) | HDAC1HDAC6MAPTGAAKMT2A | |
| SCHEMBL3467867 | 0.87 | MAPT (0.50) | HDAC1HDAC6MAPTHDAC3HDAC2 | |
| SCHEMBL3467213 | 0.87 | HDAC1 (0.67) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL3468407 | 0.87 | MAPT (0.56) | HDAC1HDAC6MAPTGAAKMT2A | |
| SCHEMBL3467044 | 0.87 | HDAC1 (0.48) | HDAC1HDAC6MAPTGAAKMT2A | |
| SCHEMBL3467483 | 0.85 | GAA (0.60) | HDAC1HDAC6MAPTGAAKMT2A |
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 | claimed |
| WO-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | disclosed |