Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NPC1L1 | Q9UHC9 | 2/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13096122 | 0.93 | SCN9A (0.42) | SCN9ACYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL13096087 | 0.83 | MAPT (0.34) | SCN9ACYP3A4CYP2C19CYP2C9NPC1L1 | |
| SCHEMBL1173457 | 0.82 | SCN9A (0.51) | SCN9ACYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL1173424 | 0.80 | SCN9A (0.51) | SCN9ACYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL13096126 | 0.78 | SCN9A (0.48) | SCN9ACYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL10293481 | 0.78 | SCN9A (0.54) | SCN9ACYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL1173770 | 0.78 | SCN9A (0.56) | SCN9ACYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL1174350 | 0.78 | SCN9A (0.55) | SCN9ACYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL1173637 | 0.76 | SCN9A (0.55) | SCN9ACYP3A4CYP2C19CYP2C9CYP2D6 | |
| SCHEMBL13095890 | 0.74 | SCN9A (0.52) | SCN9ACYP3A4CYP2C19CYP2C9CYP2D6 |
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 |