Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 17/20 | 0.81 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.81 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.81 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL18670946 | 1.00 | HDAC1 (0.81) | HDAC1HDAC2HDAC3MCHR1KCNH2 | |
| SCHEMBL18653512 | 0.89 | HDAC1 (1.00) | HDAC1HDAC2HDAC3 | |
| SCHEMBL18671528 | 0.85 | HDAC1 (0.72) | HDAC1HDAC2HDAC3MCHR1 | |
| SCHEMBL18670952 | 0.85 | HDAC1 (0.72) | HDAC1HDAC2HDAC3MCHR1 | |
| SCHEMBL18670959 | 0.85 | HDAC1 (0.72) | HDAC1HDAC2HDAC3MCHR1 | |
| SCHEMBL18671541 | 0.85 | HDAC2 (0.67) | HDAC1HDAC2HDAC3KCNH2 | |
| SCHEMBL18670947 | 0.85 | HDAC2 (0.67) | HDAC1HDAC2HDAC3KCNH2 | |
| SCHEMBL18671524 | 0.84 | HDAC2 (0.70) | HDAC1HDAC2HDAC3 | |
| SCHEMBL18670949 | 0.84 | HDAC2 (0.70) | HDAC1HDAC2HDAC3 | |
| SCHEMBL18670961 | 0.84 | HDAC2 (0.66) | HDAC1HDAC2HDAC3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9603950-B1 | Compounds of imaging agent with HDAC inhibitor for treatment of Alzheimer syndrome and method of synthesis thereof | INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) | 2017-03-28 | — | — | US | disclosed |