Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 4/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | CCNC | P24863 | 1/20 | 0.30 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL16720501 | 0.81 | CYP2A6 (0.48) | CYP17A1CYP3A4CYP11B1CYP11B2ERN1 | |
| SCHEMBL16719697 | 0.80 | CYP11B1 (0.42) | CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL16720179 | 0.78 | QDPR (0.39) | ERN1CCNCCDK8 | |
| SCHEMBL16720630 | 0.74 | CYP11B1 (0.47) | CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL159940 | 0.74 | ALDH1A1 (0.54) | CYP2A6 | |
| SCHEMBL16719637 | 0.74 | ESR1 (0.42) | CYP3A4 | |
| SCHEMBL7945424 | 0.73 | ATM (0.34) | ERN1ATMCYP2A6PDK2 | |
| SCHEMBL10356483 | 0.71 | ALDH1A1 (0.56) | CYP17A1CYP3A4CYP11B1CYP11B2ATM | |
| SCHEMBL9988102 | 0.71 | BACE1 (0.38) | — | |
| SCHEMBL16720203 | 0.71 | ALOX5 (0.41) | CYP3A4CYP2A6 |
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-3068758-A1 | EBNA1 INHIBITORS AND THEIR METHOD OF USE | The Wistar Institute Of Anatomy And Biology (US) | 2016-09-21 | — | — | EP | disclosed |
| WO-2015073864-A1 | EBNA1 INHIBITORS AND THEIR METHOD OF USE | THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) | 2015-05-21 | — | — | WO | disclosed |