Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | KLK1 | P06870 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 5/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20525353 | 0.93 | HDAC1 (0.41) | ALDH1A1GAAKLKB1KLK1DRD2 | |
| SCHEMBL20525423 | 0.86 | SCN9A (0.42) | KDM4EALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL20525347 | 0.86 | JAK1 (0.47) | KDM4EALDH1A1GAAJAK1KLKB1 | |
| SCHEMBL20525447 | 0.86 | HTR6 (0.41) | KDM4EALDH1A1DRD2HTR6SRPK1 | |
| SCHEMBL18108845 | 0.85 | LMNA (0.51) | KDM4EALDH1A1GAAKLKB1KLK1 | |
| SCHEMBL20525329 | 0.84 | GHSR (0.43) | ALDH1A1JAK1 | |
| SCHEMBL16804340 | 0.83 | HDAC1 (0.53) | KDM4EALDH1A1GAAKLKB1KLK1 | |
| SCHEMBL20525472 | 0.83 | CYP3A4 (0.40) | ALDH1A1JAK1MEN1KMT2A | |
| SCHEMBL20525448 | 0.83 | RPS6KB1 (0.41) | KDM4EALDH1A1DRD2HTR6SRPK1 | |
| SCHEMBL20525450 | 0.81 | F12 (0.36) | DRD2HTR6 |
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-3080125-B1 | NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-10-10 | — | — | EP | disclosed |