Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12963732 | 0.90 | TDP1 (0.51) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 | |
| SCHEMBL12933365 | 0.89 | KIF11 (0.49) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 | |
| SCHEMBL16645078 | 0.83 | KIF11 (0.56) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 | |
| SCHEMBL4283747 | 0.81 | KIF11 (0.56) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 | |
| SCHEMBL5648396 | 0.81 | KIF11 (0.56) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 | |
| SCHEMBL4517998 | 0.81 | KIF11 (0.54) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 | |
| SCHEMBL4519529 | 0.81 | KIF11 (0.56) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 | |
| SCHEMBL12963255 | 0.81 | KIF11 (0.51) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 | |
| SCHEMBL4522589 | 0.80 | KIF11 (0.48) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 | |
| SCHEMBL4620734 | 0.80 | KIF11 (0.57) | KIF11CYP3A4MAP1LC3BTDP1CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7868204-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2011-01-11 | — | — | US | disclosed |
| US-7838520-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2010-11-23 | — | — | US | disclosed |
| US-7595343-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2009-09-29 | — | — | US | disclosed |