Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 3/20 | 0.37 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL6530621 | 0.86 | KCNH2 (0.52) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL6528103 | 0.84 | KCNH2 (0.75) | KCNH2TOP1ALDH1A1POLBCHRM2 | |
| SCHEMBL6509902 | 0.82 | KCNH2 (0.52) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL6528463 | 0.82 | KCNH2 (0.65) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL6529832 | 0.81 | KCNH2 (0.59) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| Acetaldehyde SCHEMBL6533248 | 0.81 | KCNH2 (0.50) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL6533246 | 0.81 | KCNH2 (0.59) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL6530386 | 0.81 | KCNH2 (0.56) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL6528263 | 0.78 | KCNH2 (0.67) | KCNH2TOP1ALDH1A1POLBCHRM2 | |
| SCHEMBL6504808 | 0.77 | KCNH2 (0.72) | KCNH2CYP3A4ALDH1A1POLBOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005049602-A1 | QUINOLONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-02 | — | — | WO | claimed |