Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | CTSG | P08311 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL1979133 | 0.93 | SCN9A (0.41) | SCN9ACTSGMAOADRD1HTR2A | |
| SCHEMBL2866958 | 0.92 | PRKCA (0.43) | SCN9ACYP3A4CYP2C19PRKCAMMP12 | |
| SCHEMBL1981139 | 0.88 | SCN9A (0.39) | SCN9AKDM5AKDM4CCTSGMAOA | |
| SCHEMBL1953244 | 0.85 | SCN9A (0.40) | SCN9ACYP3A4CYP2C19PRKCAMMP12 | |
| SCHEMBL1983285 | 0.82 | SCN9A (0.40) | SCN9ACTSGMAOADRD1HTR2A | |
| SCHEMBL1980564 | 0.81 | PTGDR2 (0.46) | SCN9ACTSGMAOADRD1HTR2A | |
| SCHEMBL1981369 | 0.80 | PRKCA (0.44) | SCN9ACTSGMAOADRD1HTR2A | |
| SCHEMBL13475984 | 0.77 | HPGD (0.33) | KCNH2PTGDR2 | |
| SCHEMBL14735588 | 0.77 | SCN9A (0.41) | SCN9ANR1I2CYP3A4CYP2C19PRKCA | |
| SCHEMBL1956518 | 0.77 | MAPT (0.37) | SCN9ACTSGMAOADRD1HTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331554-A1 | MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS | Tibotec Pharmaceuticals (IE) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010018233-A1 | MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS | TIBOTEC PHARMACEUTICALS (IE) | 2010-02-18 | — | — | WO | disclosed |