Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 3/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL1568037 | 0.72 | FYN (0.52) | VNN1FYNGPR52RPS6KB1AKT1 | |
| SCHEMBL28820365 | 0.70 | MAPK8 (0.42) | RPS6KB1MAPK8AURKASIRT2SIRT1 | |
| SCHEMBL28049201 | 0.70 | GPR52 (0.44) | VNN1FYNPARP1GPR52RPS6KB1 | |
| SCHEMBL16047463 | 0.70 | MAOB (0.52) | VNN1SIRT2SIRT1SIRT3MAOA | |
| SCHEMBL3459871 | 0.70 | MAPK8 (0.46) | FYNPARP1GPR52RPS6KB1AKT1 | |
| SCHEMBL28825713 | 0.69 | GPR52 (0.41) | VNN1FYNPARP1GPR52RPS6KB1 | |
| SCHEMBL17664014 | 0.69 | PARP1 (0.38) | FYNPARP1KDM5AKDM5BLMNA | |
| SCHEMBL29819483 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL28049128 | 0.67 | PDE10A (0.46) | GPR52KDM5AKDM5BLMNAHTT | |
| SCHEMBL17727698 | 0.67 | VNN1 (0.47) | VNN1SIRT2SIRT1SIRT3MAOB |
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-2485731-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | MILLENNIUM PHARM INC (US) | 2016-05-11 | — | — | EP | disclosed |