Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 12/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 12/20 | 0.44 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 3/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10201491 | 0.97 | SCN10A (0.46) | HCRTR1HCRTR2SCN10ACYP3A4CYP2C9 | |
| SCHEMBL12075270 | 0.92 | SCN10A (0.44) | HCRTR1HCRTR2SCN10ACYP3A4CYP2C9 | |
| SCHEMBL19339621 | 0.92 | SCN10A (0.52) | HCRTR1HCRTR2SCN10ACHEK2 | |
| SCHEMBL13192598 | 0.92 | CYP3A4 (0.50) | HCRTR1HCRTR2CYP3A4CYP2C9NR1I2 | |
| SCHEMBL10092391 | 0.92 | CYP3A4 (0.50) | HCRTR1HCRTR2CYP3A4CYP2C9NR1I2 | |
| SCHEMBL10125969 | 0.92 | CYP3A4 (0.50) | HCRTR1HCRTR2CYP3A4CYP2C9NR1I2 | |
| SCHEMBL2708770 | 0.92 | CYP3A4 (0.50) | HCRTR1HCRTR2CYP3A4CYP2C9NR1I2 | |
| SCHEMBL10092587 | 0.92 | CYP3A4 (0.50) | HCRTR1HCRTR2CYP3A4CYP2C9NR1I2 | |
| SCHEMBL19339652 | 0.90 | NR1I2 (0.42) | HCRTR1HCRTR2SCN10ACYP3A4CYP2C9 | |
| SCHEMBL690388 | 0.89 | CYP3A4 (0.52) | HCRTR1HCRTR2CYP3A4CYP2C9NR1I2 |
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-2012068234-A2 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| WO-2010096302-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-08-26 | — | — | WO | disclosed |