Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 5/20 | 0.34 |
| ▸ | JAK1 | P23458 | 5/20 | 0.34 |
| ▸ | TYK2 | P29597 | 5/20 | 0.34 |
| ▸ | JAK3 | P52333 | 5/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.33 |
| ▸ | GAK | O14976 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2448864 | 1.00 | CYP3A4 (0.40) | CYP3A4IRAK1KDM4EALDH1A1GAA | |
| SCHEMBL2448559 | 0.95 | CYP3A4 (0.41) | CYP3A4IRAK1SMOJAK2JAK1 | |
| SCHEMBL1702705 | 0.89 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL2452207 | 0.88 | IRAK1 (0.35) | CYP3A4IRAK1KDM4EALDH1A1GAA | |
| SCHEMBL1703017 | 0.88 | IRAK1 (0.35) | CYP3A4IRAK1KDM4EALDH1A1GAA | |
| SCHEMBL2448595 | 0.88 | AURKA (0.36) | CYP3A4IRAK1KDM4EALDH1A1GAA | |
| SCHEMBL1703312 | 0.86 | IRAK1 (0.34) | IRAK1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL2452968 | 0.86 | IRAK1 (0.34) | CYP3A4IRAK1KDM4EALDH1A1GAA | |
| SCHEMBL16508298 | 0.86 | JAK2 (0.34) | CYP3A4IRAK1KDM4EALDH1A1GAA | |
| SCHEMBL1702753 | 0.85 | IRAK1 (0.36) | IRAK1KDM4EALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010142656-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-12-16 | — | — | WO | disclosed |