Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3601974 | 0.76 | ALDH1A1 (0.38) | ALDH1A1LMNAALOX15SMN1; SMN2TDO2 | |
| SCHEMBL29419014 | 0.72 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL120088 | 0.72 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL30473120 | 0.72 | CYP2A6 (1.00) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL4831090 | 0.70 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Benzene SCHEMBL27934930 | 0.70 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| Phosphine SCHEMBL28126457 | 0.70 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28247322 | 0.70 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL27812368 | 0.70 | CYP2A6 (0.94) | CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28301145 | 0.70 | CYP2A6 (0.94) | 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 3 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 |
| US-5246914-A | Fungicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-21 | — | — | US | disclosed |