Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | HTR1B | P28222 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3789969 | 1.00 | CYP2A6 (0.71) | CYP2A6KDM4EHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL719619 | 0.83 | CYP2A6 (1.00) | CYP2A6KDM4EHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL15823776 | 0.79 | CYP2A6 (0.46) | CYP2A6KDM4EHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL6598921 | 0.79 | CYP2A6 (0.46) | CYP2A6KDM4EHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL8040622 | 0.79 | CYP2A6 (0.46) | CYP2A6KDM4EHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL6543324 | 0.76 | CYP2A6 (0.43) | CYP2A6KDM4EHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL9754623 | 0.76 | CYP2A6 (0.65) | CYP2A6KDM4EHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL16686612 | 0.75 | KDM4E (0.52) | CYP2A6KDM4EHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL11769290 | 0.75 | RELA (0.55) | CYP2A6MAOAALDH1A1 | |
| SCHEMBL11769294 | 0.75 | RELA (0.55) | CYP2A6MAOAALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025124698-A1 | ARYL SULFONE AND SULFANONE DERIVATIVES AS OREXIN RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2025-06-19 | — | — | WO | disclosed |
| CN-112912073-B | Solar cell dyes for copper redox-based dye sensitized solar cells and combinations thereof | 环境光子学公司 | 2023-11-28 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |