Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 14/20 | 0.78 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.38 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3743465 | 0.88 | APEX1 (1.00) | APEX1AKR1C3HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL3745788 | 0.88 | APEX1 (1.00) | APEX1AKR1C3HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL3743461 | 0.88 | APEX1 (1.00) | APEX1AKR1C3HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL20123229 | 0.85 | APEX1 (0.57) | APEX1HSP90AA1HSP90AB1S100A4KDM4E | |
| SCHEMBL13894618 | 0.83 | APEX1 (0.78) | APEX1AKR1C3HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL13894584 | 0.83 | APEX1 (0.78) | APEX1AKR1C3HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL3745792 | 0.80 | APEX1 (1.00) | APEX1AKR1C3S100A4KDM4EAPAF1 | |
| SCHEMBL3745796 | 0.80 | APEX1 (1.00) | APEX1AKR1C3S100A4KDM4EAPAF1 | |
| SCHEMBL20123275 | 0.80 | APEX1 (0.82) | APEX1HSP90AA1HSP90AB1KDM4EMAPT | |
| SCHEMBL3748323 | 0.77 | APEX1 (1.00) | APEX1AKR1C3HSP90AA1HSP90AB1NSD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2203161-B1 | QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIV INDIANA RES & TECH CORP (US) | 2018-05-09 | — | — | EP | disclosed |