Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.42 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL15292045 | 0.87 | PDK1 (0.51) | PDK1PDK2PDK3PDK4GPR119 | |
| SCHEMBL4501274 | 0.86 | PDK1 (0.53) | PDK1PDK2PDK3PDK4GPR119 | |
| SCHEMBL107382 | 0.85 | PDK1 (0.65) | PDK1PDK2PDK3PDK4GPR119 | |
| SCHEMBL105646 | 0.85 | PDK1 (0.65) | PDK1PDK2PDK3PDK4GPR119 | |
| SCHEMBL105647 | 0.85 | PDK1 (0.65) | PDK1PDK2PDK3PDK4GPR119 | |
| SCHEMBL13810588 | 0.85 | PDK1 (0.65) | PDK1PDK2PDK3PDK4GPR119 | |
| SCHEMBL20333526 | 0.84 | HDAC1 (0.53) | HDAC1HDAC6GPR119KDM4EL3MBTL1 | |
| SCHEMBL28347328 | 0.84 | HDAC1 (0.53) | HDAC1HDAC6GPR119KDM4EL3MBTL1 | |
| SCHEMBL20304754 | 0.84 | PDK1 (0.50) | PDK1PDK2PDK3PDK4MAPK14 | |
| SCHEMBL28346940 | 0.84 | HDAC1 (0.54) | HDAC1HDAC6GPR119TBK1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110573497-A | Histone deacetylase inhibitors | 生物马林药物股份有限公司 | 2019-12-13 | — | — | CN | disclosed |
| WO-2018119362-A2 | HISTONE DEACETYLASE INHIBITORS | BIOMARIN PHARMACEUTICALS INC. (US) | 2018-06-28 | — | — | WO | disclosed |