Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCA | P17252 | 1/20 | 0.59 |
| ▸ | MMP12 | P39900 | 1/20 | 0.59 |
| ▸ | NR1I2 | O75469 | 8/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2281723 | 1.00 | PRKCA (0.59) | PRKCAMMP12NR1I2CYP3A4CYP2C9 | |
| SCHEMBL2276552 | 0.89 | PRKCA (0.54) | PRKCAMMP12NR1I2CYP3A4CYP2C9 | |
| SCHEMBL4223402 | 0.88 | PRKCA (0.57) | PRKCAMMP12NR1I2CYP3A4CYP2C9 | |
| SCHEMBL3685055 | 0.88 | PRKCA (0.57) | PRKCAMMP12NR1I2CYP3A4CYP2C9 | |
| SCHEMBL4213234 | 0.88 | PRKCA (0.57) | PRKCAMMP12NR1I2CYP3A4CYP2C9 | |
| SCHEMBL4211037 | 0.86 | PRKCA (0.58) | PRKCAMMP12NR1I2CYP3A4CYP2C9 | |
| SCHEMBL2279362 | 0.83 | PRKCA (0.47) | PRKCAMMP12NR1I2CYP3A4CYP2C9 | |
| SCHEMBL2275224 | 0.82 | PRKCA (0.49) | PRKCAMMP12NR1I2CYP3A4CYP2C9 | |
| SCHEMBL2279364 | 0.82 | PRKCA (0.44) | PRKCAMMP12NR1I2CYP3A4CYP2C9 | |
| SCHEMBL2277252 | 0.82 | PRKCA (0.49) | PRKCAMMP12NR1I2CYP3A4CYP2C9 |
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-2178885-A1 | MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS | Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009010783-A1 | MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-01-22 | — | — | WO | disclosed |