Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4909543 | 0.85 | HDAC8 (1.00) | HDAC8ALDH1A1HTTSMN1; SMN2KDM4E | |
| SCHEMBL17549802 | 0.85 | HDAC8 (1.00) | HDAC8ALDH1A1HTTSMN1; SMN2KDM4E | |
| SCHEMBL19887507 | 0.85 | HDAC8 (1.00) | HDAC8ALDH1A1HTTSMN1; SMN2KDM4E | |
| SCHEMBL4778030 | 0.79 | HDAC8 (0.85) | HDAC8ALDH1A1HTTSMN1; SMN2KDM4E | |
| SCHEMBL4905399 | 0.75 | HDAC8 (0.80) | HDAC8ALDH1A1HTTSMN1; SMN2KDM4E | |
| SCHEMBL4905417 | 0.75 | HDAC8 (0.80) | HDAC8ALDH1A1HTTSMN1; SMN2KDM4E | |
| SCHEMBL4795024 | 0.73 | HDAC8 (0.76) | HDAC8SMN1; SMN2MDM2KMT2AMEN1 | |
| SCHEMBL4905083 | 0.71 | HDAC8 (0.62) | HDAC8ALDH1A1HTTSMN1; SMN2KDM4E | |
| SCHEMBL5013970 | 0.71 | GPX4 (0.54) | HDAC8 | |
| SCHEMBL4908436 | 0.71 | HDAC8 (0.71) | HDAC8ALDH1A1MDM2L3MBTL1KMT2A |
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-9745613-B2 | Compounds, substrates and methods related to histone deacetylases | THE BROAD INSTITUTE, INC. (US) | 2017-08-29 | — | — | US | disclosed |