Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TOP1 | P11387 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6502080 | 0.88 | KCNH2 (1.00) | KCNH2CYP3A4TOP1KDM4EALDH1A1 | |
| SCHEMBL6532956 | 0.85 | KCNH2 (0.58) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL13270264 | 0.83 | KCNH2 (0.90) | KCNH2CYP3A4TOP1KDM4EALDH1A1 | |
| SCHEMBL6531797 | 0.82 | KCNH2 (0.54) | KCNH2CYP3A4TOP1KDM4EALDH1A1 | |
| SCHEMBL13964427 | 0.81 | KCNH2 (0.77) | KCNH2CYP3A4TOP1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6508804 | 0.80 | KCNH2 (0.85) | KCNH2CYP3A4TOP1KDM4EALDH1A1 | |
| SCHEMBL2825319 | 0.79 | KCNH2 (0.46) | KCNH2KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL13520589 | 0.75 | KCNH2 (0.54) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL13520155 | 0.75 | KCNH2 (0.54) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL1007177 | 0.74 | KCNH2 (0.73) | KCNH2CYP3A4TOP1KDM4EALDH1A1 |
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 | disclosed |