Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 4/20 | 0.34 |
| ▸ | PRKACA | P17612 | 2/20 | 0.34 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.34 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.34 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.34 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.34 |
| ▸ | LATS1 | O95835 | 1/20 | 0.34 |
| ▸ | PRKACB | P22694 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | GRK2 | P25098 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14896639 | 0.78 | ALDH1A1 (0.59) | RPS6KA3ESR2ROCK2AKT2ALDH1A1 | |
| SCHEMBL24720935 | 0.78 | ESR2 (0.43) | RPS6KA3ESR2ALDH1A1CYP3A4TSHR | |
| SCHEMBL24720519 | 0.77 | GRM2 (0.38) | RPS6KA3ROCK2ERN1PRKCQPIK3CA | |
| SCHEMBL24720649 | 0.74 | ESR2 (0.47) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24720587 | 0.74 | ESR2 (0.47) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24720257 | 0.73 | ESR2 (0.41) | RPS6KA3ESR2ALDH1A1CYP3A4TSHR | |
| SCHEMBL24719632 | 0.73 | ESR2 (0.43) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL24721426 | 0.72 | TNKS2 (0.40) | ESR2ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL27476106 | 0.68 | KCNH2 (0.52) | LRRK2ROCK2AKT2ALDH1A1AKT1 | |
| SCHEMBL24720574 | 0.68 | ESR2 (0.40) | ESR2ALDH1A1CYP3A4TSHRMAPK1 |
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 |