Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CCNK | O75909 | 2/20 | 0.40 |
| ▸ | CCND3 | P30281 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22159239 | 0.84 | HDAC3 (0.51) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| Ethylene SCHEMBL29031111 | 0.81 | HDAC3 (0.52) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL63616 | 0.81 | HDAC3 (0.54) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL25720927 | 0.80 | KDM4E (0.38) | MAPTKMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL28314039 | 0.79 | HDAC3 (0.53) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| Lithium Ion SCHEMBL20163088 | 0.78 | HDAC3 (0.49) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL64453 | 0.77 | HRH3 (0.54) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL20132431 | 0.77 | HDAC3 (0.57) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL25693065 | 0.77 | HDAC3 (0.57) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 | |
| SCHEMBL733405 | 0.77 | HDAC3 (0.43) | HDAC3HDAC2CYP1A2CYP2C18CYP2C19 |
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-2018098296-A1 | PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS | REGENACY PHARMACEUTICALS, LLC (US) | 2018-05-31 | — | — | WO | disclosed |