Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19618653 | 1.00 | KCNH2 (0.53) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL10177442 | 0.96 | KCNH2 (0.56) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL883039 | 0.96 | KCNH2 (0.58) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL15114709 | 0.93 | KCNH2 (0.53) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL18727575 | 0.92 | KCNH2 (0.52) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16282776 | 0.92 | KCNH2 (0.52) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL17983474 | 0.92 | KCNH2 (0.52) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL15114714 | 0.92 | KCNH2 (0.51) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3344163 | 0.91 | KCNH2 (0.51) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL20054671 | 0.90 | KCNH2 (0.50) | KCNH2CYP3A4CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9820972-B2 | Antiviral compounds highly effective as HCV-NS5A inhibitor | AB Pharma Ltd. (CN) | 2017-11-21 | — | — | US | disclosed |
| US-9820972-B2 | Antiviral compounds highly effective as HCV-NS5A inhibitor | AB Pharma Ltd. (CN) | 2017-11-21 | — | — | US | disclosed |