Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 9/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 5/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20629290 | 0.91 | HDAC6 (0.58) | HDAC2HDAC6HDAC8HDAC3HDAC1 | |
| SCHEMBL20635578 | 0.90 | HDAC6 (0.58) | HDAC2HDAC6HDAC8HDAC3HDAC1 | |
| SCHEMBL20629485 | 0.89 | HDAC6 (0.69) | HDAC2HDAC6HDAC8HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL20605308 | 0.89 | HDAC6 (0.70) | HDAC2HDAC6HDAC8HDAC3HDAC1 | |
| SCHEMBL22487712 | 0.87 | HDAC2 (0.55) | HDAC2HDAC6HDAC8HDAC3HDAC1 | |
| SCHEMBL20629287 | 0.84 | HDAC6 (0.56) | HDAC2HDAC6HDAC8HDAC3HDAC1 | |
| SCHEMBL20629341 | 0.82 | HDAC6 (0.60) | HDAC2HDAC6HDAC8HDAC3HDAC1 | |
| SCHEMBL20629461 | 0.81 | HDAC6 (0.63) | HDAC2HDAC6HDAC8HDAC3HDAC1 | |
| SCHEMBL20634145 | 0.80 | HDAC6 (0.80) | HDAC2HDAC6HDAC8HDAC3HDAC1 | |
| SCHEMBL20629480 | 0.80 | HDAC6 (0.74) | HDAC2HDAC6HDAC8HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3424925-A1 | NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES | Universität Regensburg (DE) | 2019-01-09 | — | — | EP | disclosed |