Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | GCGR | P47871 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | EIF4A1 | P60842 | 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 | |
|---|---|---|---|---|
| SCHEMBL25522431 | 0.79 | ESR1 (0.39) | ESR1ESR2DHODHEIF4A1 | |
| SCHEMBL25522215 | 0.77 | ESR1 (0.40) | ESR1ESR2PDE10ABACE1GCGR | |
| SCHEMBL25520053 | 0.75 | ESR1 (0.43) | ESR1ESR2PDE10ABACE1GCGR | |
| SCHEMBL11088632 | 0.74 | ESR2 (0.51) | ESR1ESR2PDE10ABACE1MAOB | |
| SCHEMBL13399631 | 0.70 | BACE1 (0.49) | ESR1ESR2BACE1MAOBMAOA | |
| SCHEMBL12970466 | 0.70 | ESR2 (0.74) | ESR1ESR2BACE1MAOBMAOA | |
| SCHEMBL25521798 | 0.70 | MAOB (0.41) | ESR1ESR2PDE10ABACE1GCGR | |
| SCHEMBL25522334 | 0.69 | KDM4E (0.35) | ESR1ESR2GCGRKDM4E | |
| SCHEMBL20660350 | 0.67 | BACE1 (0.53) | ESR1ESR2PDE10ABACE1MAOB | |
| SCHEMBL26613560 | 0.67 | BACE1 (0.52) | ESR1ESR2BACE1MAOBMAOA |
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 |