Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | TACR3 | P29371 | 7/20 | 0.33 |
| ▸ | TACR2 | P21452 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL17751542 | 1.00 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16282928 | 1.00 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16282904 | 1.00 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL19618655 | 0.96 | KCNH2 (0.43) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL18727069 | 0.95 | KCNH2 (0.42) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL18727074 | 0.95 | KCNH2 (0.42) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16282777 | 0.95 | KCNH2 (0.42) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16282925 | 0.92 | KCNH2 (0.50) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL17751541 | 0.92 | KCNH2 (0.50) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16282902 | 0.92 | KCNH2 (0.50) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 |
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 |