Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 5/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15233632 | 0.92 | NR1I2 (0.34) | NR1I2KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13096099 | 0.89 | MAPT (0.36) | NR1I2KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10293499 | 0.87 | NR1I2 (0.37) | NR1I2KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13096091 | 0.86 | NR1I2 (0.37) | NR1I2KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10293526 | 0.82 | MAPT (0.39) | KCNH2CYP3A4CYP2C9CYP2C19SCN9A | |
| SCHEMBL13096106 | 0.82 | PRKCA (0.37) | NR1I2KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13096087 | 0.81 | MAPT (0.34) | NR1I2KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13096090 | 0.81 | MAPT (0.39) | NR1I2KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10293502 | 0.81 | PRKCA (0.38) | NR1I2KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10293466 | 0.80 | PRKCA (0.43) | NR1I2KCNH2CYP3A4CYP2C9CYP2C19 |
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-2009080836-A2 | MACROCYCLIC INDOLES AS HEPATITIS C VIRUS INHIBITORS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2009-07-02 | — | — | WO | disclosed |