Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL14986297 | 0.93 | CYP2C8 (0.48) | CYP2C8CYP3A4KCNH2NR1I2SMO | |
| SCHEMBL14986304 | 0.90 | CYP2C8 (0.54) | CYP2C8CYP3A4KCNH2NR1I2IDO1 | |
| SCHEMBL14977765 | 0.89 | CYP2C8 (0.47) | CYP2C8CYP3A4KCNH2NR1I2SMN1; SMN2 | |
| SCHEMBL14977630 | 0.87 | CYP2C8 (0.52) | CYP2C8CYP3A4KCNH2NR1I2ABL1 | |
| SCHEMBL1936129 | 0.87 | CYP2C8 (0.60) | CYP2C8CYP3A4KCNH2NR1I2ACKR3 | |
| SCHEMBL14977410 | 0.86 | CYP2C8 (0.57) | CYP2C8CYP3A4KCNH2NR1I2SMN1; SMN2 | |
| SCHEMBL14977305 | 0.85 | MAPK14 (0.43) | CYP2C8CYP3A4KCNH2NR1I2ABL1 | |
| SCHEMBL14977582 | 0.84 | CYP2C8 (0.41) | CYP2C8CYP3A4KCNH2NR1I2SMN1; SMN2 | |
| SCHEMBL14977789 | 0.83 | CYP2C8 (0.40) | CYP2C8CYP3A4KCNH2NR1I2NAMPT | |
| SCHEMBL14977743 | 0.82 | IMPDH2 (0.38) | CYP2C8CYP3A4KCNH2NR1I2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013075173-A1 | COMPOUNDS FOR THE TREATMENT OF HCV | BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) | 2013-05-30 | — | — | WO | claimed |
| WO-2013075173-A1 | COMPOUNDS FOR THE TREATMENT OF HCV | BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) | 2013-05-30 | — | — | WO | disclosed |