Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 3/20 | 0.47 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 4/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24895273 | 0.98 | TDP2 (0.49) | TDP2AKR1A1AKR1B1PGRPARP10 | |
| SCHEMBL22745965 | 0.95 | TDP2 (0.49) | TDP2AKR1A1AKR1B1PGRPARP10 | |
| SCHEMBL24894969 | 0.92 | TDP2 (0.51) | TDP2AKR1A1AKR1B1PARP10PARP11 | |
| SCHEMBL24895037 | 0.81 | TDP2 (0.47) | TDP2AKR1A1AKR1B1PARP10PARP11 | |
| SCHEMBL61843 | 0.81 | PGR (0.56) | PGRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL24895277 | 0.80 | TDP2 (0.46) | TDP2AKR1A1AKR1B1PARP10PARP11 | |
| SCHEMBL13337301 | 0.79 | KCNK2 (0.42) | TDP2AKR1A1AKR1B1ALDH1A1 | |
| SCHEMBL12306672 | 0.79 | KCNK2 (0.42) | TDP2AKR1A1AKR1B1ALDH1A1 | |
| SCHEMBL22904499 | 0.79 | TDP2 (0.47) | TDP2AKR1A1AKR1B1PARP10PARP11 | |
| SCHEMBL1223242 | 0.79 | PGR (0.55) | PGRPDE4APDE4BPDE4CPDE4D |
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-2020240493-A1 | 1,3,4-OXADIAZOLE HOMOPHTHALIMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2020-12-03 | — | — | WO | disclosed |