Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | PREP | P48147 | 3/20 | 0.37 |
| ▸ | PPID | Q08752 | 3/20 | 0.36 |
| ▸ | PPIB | P23284 | 3/20 | 0.36 |
| ▸ | PPIG | Q13427 | 2/20 | 0.36 |
| ▸ | CPT1A | P50416 | 1/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17527121 | 0.90 | CPT1A (0.42) | CYP3A4KCNH2PREPPPIDPPIB | |
| SCHEMBL18534363 | 0.84 | CYP3A4 (0.37) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL18534351 | 0.84 | KMT2A (0.38) | CYP2C9KCNH2PREP | |
| SCHEMBL18534469 | 0.83 | HCRTR1 (0.37) | HCRTR1HCRTR2 | |
| SCHEMBL16282749 | 0.82 | CYP3A4 (0.40) | CYP3A4CYP2C9HCRTR1HCRTR2KCNH2 | |
| SCHEMBL19339737 | 0.82 | KMT2A (0.31) | — | |
| SCHEMBL18731251 | 0.82 | CYP3A4 (0.38) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL20055244 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL19339668 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL18727390 | 0.81 | PPID (0.34) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 |
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-2850075-B1 | PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2017-02-22 | — | — | EP | disclosed |