Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9958037 | 0.85 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL16719720 | 0.81 | CYP17A1 (0.36) | CYP2A6CYP3A4CYP11B1ERN1CYP11B2 | |
| SCHEMBL9958408 | 0.81 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL15949704 | 0.81 | CYP2A6 (0.51) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28594337 | 0.81 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL16720179 | 0.79 | QDPR (0.39) | ALDH1A1KDM4ELMNATP53MAPT | |
| SCHEMBL159940 | 0.79 | ALDH1A1 (0.54) | CYP2A6ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL1691864 | 0.77 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL16719697 | 0.77 | CYP11B1 (0.42) | CYP3A4CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL7953808 | 0.77 | CYP2A6 (0.47) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E |
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 |