Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 8/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24422508 | 0.81 | SLC9A1 (0.52) | SLC9A1KEAP1ALDH1A1CYP1A2POLB | |
| SCHEMBL14149860 | 0.81 | SLC9A1 (0.52) | SLC9A1KEAP1ALDH1A1CYP1A2POLB | |
| SCHEMBL1083846 | 0.81 | ALDH1A1 (0.58) | SLC9A1KEAP1ALDH1A1CYP1A2POLB | |
| SCHEMBL9220916 | 0.81 | SLC9A1 (0.55) | SLC9A1KEAP1ALDH1A1CYP1A2POLB | |
| SCHEMBL14422298 | 0.81 | SLC9A1 (0.55) | SLC9A1KEAP1ALDH1A1CYP1A2POLB | |
| SCHEMBL28458742 | 0.81 | SLC9A1 (0.47) | SLC9A1KEAP1ALDH1A1CYP1A2POLB | |
| SCHEMBL4221863 | 0.79 | SLC9A1 (0.48) | SLC9A1KEAP1ALDH1A1CYP1A2POLB | |
| SCHEMBL1866263 | 0.78 | SLC9A1 (0.52) | SLC9A1KEAP1ALDH1A1CYP1A2POLB | |
| SCHEMBL4222237 | 0.78 | SLC9A1 (0.52) | SLC9A1KEAP1ALDH1A1CYP1A2POLB | |
| SCHEMBL17676626 | 0.78 | SLC9A1 (0.52) | SLC9A1KEAP1ALDH1A1CYP1A2POLB |
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-2492261-B1 | Analogs of benzoquinone-containing ansamycins for the treatment of cancer | INFINITY DISCOVERY INC (US) | 2015-02-18 | — | — | EP | disclosed |