Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | EP300 | Q09472 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17474761 | 0.95 | KCNH2 (0.67) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL17488508 | 0.95 | KCNH2 (0.67) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL14723756 | 0.95 | KCNH2 (0.67) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL14723755 | 0.95 | KCNH2 (0.67) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL13379507 | 0.92 | KCNH2 (0.52) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL14723748 | 0.90 | KCNH2 (0.61) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL2195528 | 0.88 | KCNH2 (0.59) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL14723749 | 0.86 | KCNH2 (0.61) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL13387931 | 0.86 | KCNH2 (0.63) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL3045344 | 0.86 | KCNH2 (0.56) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 |
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-8383094-B2 | inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |