Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22001990 | 0.82 | GAA (0.33) | TDP1ALDH1A1GBA1GAAEPHX1 | |
| SCHEMBL7819855 | 0.80 | ALDH1A1 (0.35) | TDP1ALDH1A1GBA1GAAEPHX1 | |
| SCHEMBL18680190 | 0.78 | POLB (0.32) | GBA1EPHX1 | |
| SCHEMBL27623170 | 0.78 | KDM4E (0.31) | ALDH1A1GBA1EPHX1 | |
| SCHEMBL14617908 | 0.77 | TDP1 (0.39) | TDP1ALDH1A1GAAEPHX1 | |
| SCHEMBL28514234 | 0.77 | TDP1 (0.35) | TDP1GBA1GAA | |
| SCHEMBL27433822 | 0.77 | EPHX1 (0.33) | ALDH1A1GAAEPHX1 | |
| SCHEMBL18429613 | 0.75 | MMP8 (0.36) | — | |
| SCHEMBL28748435 | 0.75 | POLB (0.31) | ALDH1A1 | |
| SCHEMBL132657 | 0.74 | DGAT1 (0.42) | TDP1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7173004-B2 | Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-06 | — | — | US | disclosed |