Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL13341781 | 0.90 | KCNH2 (0.39) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL3559878 | 0.87 | KCNH2 (0.49) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL3559880 | 0.87 | KCNH2 (0.49) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL13341780 | 0.82 | KCNH2 (0.36) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL3556609 | 0.79 | CYP3A4 (0.47) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL3556611 | 0.79 | CYP3A4 (0.47) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL13341777 | 0.77 | KCNH2 (0.48) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL13341768 | 0.76 | STAT3 (0.42) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL14014256 | 0.76 | STAT3 (0.42) | KCNH2CYP3A4ALDH1A1POLBCHRM2 | |
| SCHEMBL14014253 | 0.75 | CYP3A4 (0.45) | KCNH2CYP3A4ALDH1A1POLBCHRM2 |
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-7723524-B2 | 8-cyanoquinolonecarboxylic acid derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2010-05-25 | — | — | US | disclosed |