Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | GYS1 | P13807 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24720257 | 0.82 | ESR2 (0.41) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24720649 | 0.80 | ESR2 (0.47) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24720587 | 0.80 | ESR2 (0.47) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24719632 | 0.78 | ESR2 (0.43) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24720518 | 0.78 | LRRK2 (0.40) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24721413 | 0.74 | PTGS2 (0.33) | PTGS2ACLY | |
| SCHEMBL24721426 | 0.73 | TNKS2 (0.40) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24720574 | 0.73 | ESR2 (0.40) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24721356 | 0.69 | ESR2 (0.45) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL7088612 | 0.68 | CYP2A6 (0.46) | ALDH1A1CYP3A4TSHRPTGS2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022261204-A1 | ANTICANCER COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-12-15 | — | — | WO | disclosed |