Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.63 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 3/20 | 0.32 |
| ▸ | CTSD | P07339 | 2/20 | 0.32 |
| ▸ | CTSB | P07858 | 2/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL325918 | 0.93 | CYP2E1 (0.73) | CYP2E1NR1I2CTSLCTSSCTSD | |
| SCHEMBL325919 | 0.93 | CYP2E1 (0.73) | CYP2E1NR1I2CTSLCTSSCTSD | |
| SCHEMBL10264956 | 0.86 | CYP2E1 (0.57) | CYP2E1NR1I2NR1H4CTSSEPHX2 | |
| SCHEMBL323600 | 0.86 | CYP2E1 (0.85) | CYP2E1NR1I2CTSLCTSSCTSD | |
| SCHEMBL323601 | 0.86 | CYP2E1 (0.85) | CYP2E1NR1I2CTSLCTSSCTSD | |
| SCHEMBL10265012 | 0.84 | CYP2E1 (0.51) | CYP2E1NR1H4CTSLCTSSCTSD | |
| SCHEMBL15132465 | 0.82 | CYP2E1 (0.64) | CYP2E1NR1I2CTSLCTSSCTSD | |
| SCHEMBL15130892 | 0.82 | CYP2E1 (0.64) | CYP2E1NR1I2CTSLCTSSCTSD | |
| SCHEMBL10268712 | 0.82 | CYP2E1 (0.64) | CYP2E1NR1I2CTSLCTSSCTSD | |
| SCHEMBL319041 | 0.81 | CYP2E1 (0.67) | CYP2E1NR1I2EPHX2ALDH1A1GLA |
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-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |