Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | MAP4K5 | Q9Y4K4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14837200 | 0.85 | PARP1 (0.43) | LMNAPARP1MEN1KMT2AMAPT | |
| SCHEMBL14836767 | 0.77 | PRKCQ (0.34) | LMNAPARP1MAPT | |
| SCHEMBL14837256 | 0.76 | IL33 (0.39) | LMNAPOLBPARP1KDM4EALDH1A1 | |
| SCHEMBL918327 | 0.76 | CDC7 (0.36) | PARP1ALDH1A1CYP1A2KCNH2 | |
| SCHEMBL917974 | 0.73 | CYP2A6 (0.39) | PARP1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL14837279 | 0.73 | L3MBTL1 (0.50) | POLBPARP1MEN1KMT2AALDH1A1 | |
| SCHEMBL14837095 | 0.71 | PARP1 (0.39) | LMNAPOLBPARP1KDM4EALDH1A1 | |
| SCHEMBL917830 | 0.71 | PARP1 (0.37) | POLBPARP1MEN1KMT2AALDH1A1 | |
| SCHEMBL14837119 | 0.71 | PARP1 (0.38) | LMNAPARP1DRD2DRD4MAPT | |
| SCHEMBL14837487 | 0.70 | ACHE (0.40) | POLBPARP1MEN1KMT2AKDM4E |
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-1758864-B1 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2013-04-10 | — | — | EP | disclosed |