Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL3467496 | 0.86 | HDAC1 (0.73) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL3477433 | 0.83 | HDAC1 (0.71) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL3467258 | 0.81 | HDAC1 (0.68) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL3467928 | 0.79 | HDAC1 (0.60) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL7926022 | 0.79 | HPGD (0.53) | HDAC1HDAC6SMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL7917237 | 0.78 | HDAC1 (0.56) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL3467213 | 0.76 | HDAC1 (0.67) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL3467463 | 0.76 | CNR2 (0.58) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL3467087 | 0.74 | CNR2 (0.58) | HDAC1HDAC6HDAC3HDAC2CNR2 | |
| SCHEMBL3467892 | 0.74 | CNR2 (0.58) | HDAC1HDAC6HDAC3CNR2 |
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 1 patent. 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 |