Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 9/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | LATS1 | O95835 | 1/20 | 0.32 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25522332 | 0.79 | ERN1 (0.43) | CYP17A1CYP11B1CYP11B2CYP3A4KDM4E | |
| SCHEMBL25522204 | 0.79 | RPS6KA3 (0.46) | CYP17A1CYP11B1CYP11B2CYP3A4RPS6KA3 | |
| SCHEMBL25522349 | 0.78 | ESR1 (0.36) | CYP17A1CYP11B1CYP11B2CYP3A4RPS6KA3 | |
| SCHEMBL25520062 | 0.77 | CYP11B1 (0.45) | CYP17A1CYP11B1CYP11B2CYP3A4RPS6KA3 | |
| SCHEMBL25522046 | 0.71 | CYP11B1 (0.42) | CYP17A1CYP11B1CYP11B2CYP3A4RPS6KA3 | |
| SCHEMBL25522334 | 0.69 | KDM4E (0.35) | KDM4EGCGR | |
| SCHEMBL3172353 | 0.68 | NCEH1 (0.37) | — | |
| SCHEMBL25522344 | 0.68 | CASR (0.36) | GCGR | |
| SCHEMBL3168372 | 0.66 | NCEH1 (0.36) | — | |
| SCHEMBL25522347 | 0.66 | KDM4E (0.48) | KDM4E |
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-2023086428-A2 | NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |