Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCA | P17252 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1953244 | 0.93 | SCN9A (0.40) | PRKCAMMP12SCN9ACYP3A4CYP2C19 | |
| SCHEMBL1956982 | 0.92 | SCN9A (0.40) | PRKCAMMP12SCN9ACYP3A4CYP2C19 | |
| SCHEMBL1981369 | 0.88 | PRKCA (0.44) | PRKCAMMP12SCN9ACYP3A4CYP2C19 | |
| SCHEMBL1979133 | 0.85 | SCN9A (0.41) | SCN9ACYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL14735588 | 0.85 | SCN9A (0.41) | PRKCAMMP12SCN9ACYP3A4CYP2C19 | |
| SCHEMBL1956138 | 0.84 | PRKCA (0.48) | PRKCAMMP12SCN9ACYP3A4CYP2C19 | |
| SCHEMBL1983368 | 0.82 | SCN9A (0.40) | PRKCAMMP12SCN9ACYP3A4CYP2C19 | |
| SCHEMBL1957388 | 0.81 | PRKCA (0.40) | PRKCAMMP12SCN9ACYP3A4CYP2C19 | |
| SCHEMBL1981139 | 0.81 | SCN9A (0.39) | PRKCAMMP12SCN9ACYP3A4CYP2C19 | |
| SCHEMBL1981341 | 0.80 | SCN9A (0.46) | PRKCAMMP12SCN9ACYP3A4CYP2C19 |
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-2010018233-A1 | MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS | TIBOTEC PHARMACEUTICALS (IE) | 2010-02-18 | — | — | WO | disclosed |