Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | ERN1 | O75460 | 4/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3822637 | 0.82 | CYP2A6 (0.46) | CYP2A6APPADRB2CYP19A1CA1 | |
| SCHEMBL851867 | 0.77 | SMN1; SMN2 (0.51) | — | |
| SCHEMBL288142 | 0.76 | KDM4E (0.54) | — | |
| SCHEMBL290239 | 0.75 | CYP2A6 (0.42) | CYP2A6ERN1APPADRB2CYP19A1 | |
| SCHEMBL280311 | 0.74 | CYP2A6 (0.37) | CYP2A6APPADRB2CYP19A1NQO1 | |
| SCHEMBL259711 | 0.74 | PTGS1 (0.35) | CYP2A6ERN1APPADRB2CYP19A1 | |
| SCHEMBL289881 | 0.72 | SMN1; SMN2 (0.61) | CA1CA9CA2CA12 | |
| SCHEMBL3828069 | 0.71 | LMNA (0.51) | APPJAK2JAK3IKBKB | |
| SCHEMBL289322 | 0.70 | CYP2A6 (0.48) | CYP2A6 | |
| SCHEMBL289614 | 0.70 | KDM4E (0.64) | JAK2JAK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427447-A2 | SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION | Pike Pharma GmbH (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128163-A2 | SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION | PIKE PHARMA GMBH (CH) | 2010-11-11 | — | — | WO | disclosed |