Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
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 | 0.91 | SCN9A (0.40) | SCN9AALDH1A1TSHRHDAC1HDAC8 | |
| SCHEMBL1983368 | 0.87 | SCN9A (0.40) | SCN9AALDH1A1TSHRHDAC1HDAC8 | |
| SCHEMBL2866958 | 0.85 | PRKCA (0.43) | SCN9AALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL1979133 | 0.84 | SCN9A (0.41) | SCN9AALDH1A1CYP3A4CYP2C19NR1I2 | |
| SCHEMBL1981341 | 0.82 | SCN9A (0.46) | SCN9AALDH1A1TSHRHDAC1HDAC8 | |
| SCHEMBL13476049 | 0.82 | SCN9A (0.36) | SCN9AALDH1A1TSHRPRKCAMMP12 | |
| SCHEMBL1955925 | 0.82 | KMT2A (0.36) | SCN9AALDH1A1PRKCAMMP12CYP3A4 | |
| SCHEMBL13475981 | 0.81 | SCN9A (0.35) | SCN9AALDH1A1TSHRPRKCAMMP12 | |
| SCHEMBL1981369 | 0.81 | PRKCA (0.44) | SCN9AALDH1A1PRKCAMMP12CYP3A4 | |
| SCHEMBL14748160 | 0.80 | SCN9A (0.53) | SCN9AHDAC1HDAC8HDAC6CYP3A4 |
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 |