Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.80 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL318909 | 1.00 | CYP2E1 (0.80) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 | |
| SCHEMBL10265800 | 0.91 | CYP2E1 (0.67) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 | |
| SCHEMBL319040 | 0.91 | CYP2E1 (0.67) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 | |
| SCHEMBL319041 | 0.91 | CYP2E1 (0.67) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 | |
| SCHEMBL327723 | 0.90 | CYP2E1 (0.80) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 | |
| SCHEMBL327724 | 0.90 | CYP2E1 (0.80) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 | |
| SCHEMBL10264952 | 0.89 | CYP2E1 (1.00) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 | |
| SCHEMBL318357 | 0.89 | CYP2E1 (0.79) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 | |
| SCHEMBL15130716 | 0.89 | CYP2E1 (0.79) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 | |
| SCHEMBL318358 | 0.89 | CYP2E1 (0.79) | CYP2E1NR1I2EPHX2APOBEC3GALDH1A1 |
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-2585447-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |