Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | LATS1 | O95835 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL25522204 | 0.94 | RPS6KA3 (0.46) | CYP11B1CYP11B2CYP17A1CYP3A4RPS6KA3 | |
| SCHEMBL25522046 | 0.84 | CYP11B1 (0.42) | CYP11B1CYP11B2CYP17A1CYP3A4RPS6KA3 | |
| SCHEMBL25521659 | 0.77 | RPS6KA3 (0.47) | RPS6KA3 | |
| SCHEMBL25523662 | 0.77 | ERN1 (0.38) | CYP11B1CYP11B2CYP17A1CYP3A4RPS6KA3 | |
| SCHEMBL25522351 | 0.77 | CYP17A1 (0.41) | CYP11B1CYP11B2CYP17A1CYP3A4RPS6KA3 | |
| SCHEMBL25523415 | 0.76 | ERN1 (0.42) | CYP11B1CYP11B2CYP17A1CYP3A4KDM4E | |
| SCHEMBL25520068 | 0.73 | RPS6KA3 (0.45) | CYP11B1CYP11B2CYP17A1CYP3A4RPS6KA3 | |
| SCHEMBL25522206 | 0.71 | ERN1 (0.45) | CYP11B1CYP11B2CYP17A1CYP3A4RPS6KA3 | |
| SCHEMBL14134353 | 0.70 | HTR2A (0.40) | CYP3A4RPS6KA3KDM4EMAPKAPK2ERN1 | |
| SCHEMBL25522333 | 0.69 | RPS6KA3 (0.44) | CYP11B1CYP11B2CYP17A1CYP3A4RPS6KA3 |
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 |