Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 3/20 | 0.40 |
| ▸ | ACACA | Q13085 | 3/20 | 0.40 |
| ▸ | SUV39H2 | Q9H5I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6532956 | 0.90 | KCNH2 (0.58) | KCNH2CYP3A4KDM4EALDH1A1POLB | |
| SCHEMBL6527456 | 0.85 | KCNH2 (0.73) | KCNH2KDM4EALDH1A1POLBTDP1 | |
| SCHEMBL6529118 | 0.85 | KCNH2 (0.67) | KCNH2CYP3A4KDM4EALDH1A1POLB | |
| SCHEMBL6502080 | 0.84 | KCNH2 (1.00) | KCNH2CYP3A4KDM4EALDH1A1POLB | |
| SCHEMBL4027122 | 0.83 | KCNH2 (0.73) | KCNH2CYP3A4KDM4EALDH1A1POLB | |
| SCHEMBL6504808 | 0.82 | KCNH2 (0.72) | KCNH2CYP3A4KDM4EALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL6508804 | 0.82 | KCNH2 (0.85) | KCNH2CYP3A4KDM4EALDH1A1POLB | |
| SCHEMBL6529113 | 0.81 | KCNH2 (0.65) | KCNH2CYP3A4KDM4EALDH1A1POLB | |
| SCHEMBL6527476 | 0.80 | KCNH2 (0.81) | KCNH2CYP3A4KDM4EALDH1A1POLB | |
| SCHEMBL4030418 | 0.79 | KCNH2 (0.53) | KCNH2CYP3A4KDM4EALDH1A1POLB |
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 |