Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.56 |
| ▸ | CNR1 | P21554 | 2/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467213 | 0.90 | HDAC1 (0.67) | CNR2HDAC1HDAC6CNR1HDAC3 | |
| SCHEMBL3467928 | 0.89 | HDAC1 (0.60) | CNR2HDAC1HDAC6CNR1HDAC3 | |
| SCHEMBL3468163 | 0.88 | CNR2 (0.53) | CNR2HDAC1HDAC6CNR1HDAC3 | |
| SCHEMBL3467463 | 0.88 | CNR2 (0.58) | CNR2HDAC1HDAC6CNR1HDAC3 | |
| SCHEMBL3467087 | 0.87 | CNR2 (0.58) | CNR2HDAC1HDAC6CNR1HDAC3 | |
| SCHEMBL3468139 | 0.87 | CNR2 (0.58) | CNR2HDAC1HDAC6CNR1HDAC3 | |
| SCHEMBL3467891 | 0.86 | HDAC6 (0.54) | CNR2HDAC1HDAC6CNR1HDAC3 | |
| SCHEMBL7917237 | 0.86 | HDAC1 (0.56) | CNR2HDAC1HDAC6CNR1HDAC3 | |
| SCHEMBL3467376 | 0.85 | MAPT (0.56) | CNR2HDAC1HDAC6CNR1HDAC3 | |
| SCHEMBL3468397 | 0.83 | HDAC1 (0.63) | CNR2HDAC1HDAC6CNR1HDAC3 |
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 |