Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | PPIB | P23284 | 1/20 | 0.38 |
| ▸ | PPIA | P62937 | 1/20 | 0.38 |
| ▸ | PRCP | P42785 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17751544 | 1.00 | KCNH2 (0.39) | KCNH2PPIBPPIAPRCPCYP3A4 | |
| SCHEMBL17751548 | 1.00 | KCNH2 (0.39) | KCNH2PPIBPPIAPRCPCYP3A4 | |
| SCHEMBL16282906 | 1.00 | KCNH2 (0.39) | KCNH2PPIBPPIAPRCPCYP3A4 | |
| SCHEMBL16282929 | 0.92 | KCNH2 (0.35) | KCNH2 | |
| SCHEMBL17751543 | 0.91 | KCNH2 (0.39) | KCNH2PPIBPPIAPRCPCYP3A4 | |
| SCHEMBL16282925 | 0.91 | KCNH2 (0.50) | KCNH2PRCPCYP3A4CYP2C9NR1I2 | |
| SCHEMBL16282902 | 0.91 | KCNH2 (0.50) | KCNH2PRCPCYP3A4CYP2C9NR1I2 | |
| SCHEMBL16282931 | 0.91 | KCNH2 (0.39) | KCNH2PPIBPPIAPRCPCYP3A4 | |
| SCHEMBL17751541 | 0.91 | KCNH2 (0.50) | KCNH2PRCPCYP3A4CYP2C9NR1I2 | |
| SCHEMBL16282905 | 0.91 | KCNH2 (0.39) | KCNH2PPIBPPIAPRCPCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9820972-B2 | Antiviral compounds highly effective as HCV-NS5A inhibitor | AB Pharma Ltd. (CN) | 2017-11-21 | — | — | US | disclosed |