Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28049201 | 0.85 | GPR52 (0.44) | GPR52KDM5AKDM5BPARP1FYN | |
| SCHEMBL28049128 | 0.81 | PDE10A (0.46) | GPR52KDM5AKDM5BPDE10APDE3B | |
| SCHEMBL28049203 | 0.80 | GPR52 (0.43) | GPR52KDM5AKDM5BPARP1FYN | |
| SCHEMBL28049140 | 0.77 | GPR52 (0.37) | GPR52KDM5AKDM5BPARP1FYN | |
| SCHEMBL1568037 | 0.71 | FYN (0.52) | GPR52KDM5AKDM5BFYNVNN1 | |
| SCHEMBL15549181 | 0.70 | NAPRT (0.36) | — | |
| SCHEMBL17727697 | 0.69 | VNN1 (0.48) | GPR52KDM5AKDM5BPARP1FYN | |
| SCHEMBL30309968 | 0.68 | PPARG (0.47) | MAOB | |
| SCHEMBL1585418 | 0.68 | PPARG (0.47) | MAOB | |
| SCHEMBL21609587 | 0.67 | L3MBTL1 (0.49) | KDM5AKDM5BPARP1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102665718-B | Heterocyclic compounds useful as PDK1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-03-09 | — | — | CN | disclosed |