Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | OGFRL1 | Q5TC84 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | MARK3 | P27448 | 1/20 | 0.35 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.35 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1980568 | 0.91 | PRKCA (0.39) | PRKCAMMP12OPRM1OPRD1OGFRL1 | |
| SCHEMBL1980990 | 0.85 | PTGDR2 (0.41) | PRKCAMMP12CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL1956510 | 0.84 | PLA2G1B (0.38) | PRKCAMMP12OPRM1OPRD1OGFRL1 | |
| SCHEMBL1981685 | 0.82 | ALDH1A1 (0.36) | OPRM1OPRD1OGFRL1SCN9AALDH1A1 | |
| SCHEMBL1980728 | 0.79 | SCN9A (0.42) | PRKCAMMP12NR1I2CYP3A4CYP2C19 | |
| SCHEMBL2875194 | 0.78 | SCN9A (0.48) | PRKCAMMP12NR1I2CYP3A4CYP2C19 | |
| SCHEMBL1954406 | 0.77 | PRKCA (0.37) | PRKCAMMP12OPRM1OPRD1OGFRL1 | |
| SCHEMBL1981129 | 0.76 | PRKCA (0.37) | PRKCAMMP12NR1I2CYP3A4CYP2C19 | |
| SCHEMBL1956565 | 0.75 | PRKCA (0.48) | PRKCAMMP12OGFRL1NR1I2CYP3A4 | |
| SCHEMBL752222 | 0.74 | NR1I2 (0.54) | PRKCAMMP12NR1I2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2331554-B1 | MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS | JANSSEN R & D IRELAND (IE) | 2013-03-06 | — | — | EP | disclosed |