Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.51 |
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467572 | 0.91 | HDAC1 (0.51) | HDAC1HDAC6CNR2CNR1HDAC3 | |
| SCHEMBL3467882 | 0.90 | HDAC1 (0.50) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL3467299 | 0.88 | HDAC1 (0.53) | HDAC1HDAC6CNR2CNR1HDAC3 | |
| SCHEMBL3468955 | 0.88 | NPC1 (0.51) | HDAC1HDAC6HDAC3HDAC2MEN1 | |
| SCHEMBL3467367 | 0.88 | CNR2 (0.51) | HDAC1HDAC6CNR2CNR1HDAC3 | |
| SCHEMBL3467482 | 0.87 | MAPT (0.52) | HDAC1HDAC6CNR2HDAC3HDAC2 | |
| SCHEMBL7926022 | 0.82 | HPGD (0.53) | HDAC1HDAC6CNR2CNR1HDAC3 | |
| SCHEMBL3467928 | 0.81 | HDAC1 (0.60) | HDAC1HDAC6CNR2CNR1HDAC3 | |
| SCHEMBL7917237 | 0.80 | HDAC1 (0.56) | HDAC1HDAC6CNR2CNR1HDAC3 | |
| SCHEMBL3468389 | 0.79 | CNR2 (0.55) | HDAC1HDAC6CNR2CNR1HDAC3 |
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 |