Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 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 | |
|---|---|---|---|---|
| SCHEMBL10265039 | 0.90 | CYP2E1 (0.70) | CYP2E1TSHREPHX2ALDH1A1KDM4E | |
| SCHEMBL10265449 | 0.90 | CYP2E1 (0.61) | CYP2E1EPHX2ALDH1A1GAAMAPT | |
| SCHEMBL10265779 | 0.89 | CYP2E1 (0.57) | CYP2E1TSHREPHX2ALDH1A1KDM4E | |
| SCHEMBL318214 | 0.88 | CYP2E1 (0.59) | CYP2E1EPHX2ALDH1A1KDM4EGLA | |
| SCHEMBL319216 | 0.87 | CYP2E1 (0.64) | CYP2E1TSHREPHX2ALDH1A1KDM4E | |
| SCHEMBL10265151 | 0.87 | CYP2E1 (0.64) | CYP2E1TSHREPHX2ALDH1A1KDM4E | |
| SCHEMBL10265447 | 0.87 | CYP2E1 (0.58) | CYP2E1EPHX2ALDH1A1KDM4EGLA | |
| SCHEMBL15130860 | 0.87 | CYP2E1 (0.58) | CYP2E1EPHX2ALDH1A1KDM4EGLA | |
| SCHEMBL15123792 | 0.87 | CYP2E1 (0.66) | CYP2E1EPHX2ALDH1A1KDM4EGAA | |
| SCHEMBL15123790 | 0.87 | CYP2E1 (0.66) | CYP2E1EPHX2ALDH1A1KDM4EGAA |
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 |