Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | CLK2 | P49760 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL6528463 | 0.90 | KCNH2 (0.65) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL13946555 | 0.90 | KCNH2 (1.00) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL6528801 | 0.90 | KCNH2 (0.72) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL6527762 | 0.89 | KCNH2 (0.71) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL4023270 | 0.89 | KCNH2 (0.98) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL6527941 | 0.89 | KCNH2 (0.79) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL6532564 | 0.86 | KCNH2 (0.60) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL6532101 | 0.85 | KCNH2 (0.63) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL6529113 | 0.85 | KCNH2 (0.65) | KCNH2CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL6528763 | 0.85 | KCNH2 (0.81) | KCNH2KDM4EALDH1A1HPGDPOLB |
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 |