Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.62 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.62 |
| ▸ | HTR2C | P28335 | 3/20 | 0.52 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | GRK5 | P34947 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | IDH2 | P48735 | 1/20 | 0.42 |
| ▸ | USP5 | P45974 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31154443 | 1.00 | AKR1C3 (0.62) | AKR1C3AKR1C1HTR2CNOTUMGRM2 | |
| SCHEMBL21311649 | 0.92 | AKR1C3 (0.51) | AKR1C3AKR1C1HTR2CNOTUMGRM2 | |
| SCHEMBL21311648 | 0.92 | AKR1C3 (0.51) | AKR1C3AKR1C1HTR2CNOTUMGRM2 | |
| SCHEMBL31154255 | 0.82 | AKR1C3 (0.65) | AKR1C3AKR1C1HTR2CNOTUMPDE4A | |
| SCHEMBL1065758 | 0.79 | HTR2C (0.77) | HTR2CGRM2DRD2HTR2AHTR2B | |
| Trifluoroacetic Acid SCHEMBL27857302 | 0.79 | HTR2C (0.49) | HTR2CNOTUMGRM2GRM3GRIN2B | |
| Acrylic Acid SCHEMBL9515733 | 0.78 | HTR2C (0.57) | HTR2CNOTUMDRD2GRIN2BUSP5 | |
| SCHEMBL21294655 | 0.78 | HTR2C (0.48) | HTR2CDRD2GRIN2BHTR2AHTR2B | |
| SCHEMBL1073107 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1C1NOTUMPDE4APDE4B | |
| SCHEMBL26144401 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1C1NOTUMPDE4APDE4B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4662326-A1 | LIGAND-ENABLED TRANSANNULAR C-H FUNCTIONALIZATION OF CYCLOALKANE CARBOXYLIC ACIDS | The Scripps Research Institute (US) | 2025-12-17 | — | — | EP | claimed |
| WO-2024167810-A1 | LIGAND-ENABLED TRANSANNULAR C-H FUNCTIONALIZATION OF CYCLOALKANE CARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2024-08-15 | — | — | WO | claimed |