Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.68 |
| ▸ | CES1 | P23141 | 4/20 | 0.68 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.58 |
| ▸ | PPARG | P37231 | 7/20 | 0.58 |
| ▸ | PPARD | Q03181 | 7/20 | 0.58 |
| ▸ | PPARA | Q07869 | 7/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TLR2 | O60603 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | FABP4 | P15090 | 2/20 | 0.58 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.58 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6300373 | 1.00 | CES2 (0.68) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL31429807 | 1.00 | CES2 (0.68) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL724256 | 0.98 | CES2 (0.67) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL1060378 | 0.90 | — | — | |
| SCHEMBL1286262 | 0.82 | CES2 (1.00) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL6849632 | 0.82 | CES2 (1.00) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL14182115 | 0.82 | CES2 (1.00) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL11438920 | 0.82 | CES2 (1.00) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL14351405 | 0.82 | CES2 (1.00) | CES2CES1GPR84PPARGPPARD | |
| SCHEMBL1441291 | 0.82 | CES2 (1.00) | CES2CES1GPR84PPARGPPARD |
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 |
|---|---|---|---|---|---|---|---|
| US-20250076302-A1 | DETECTING THE PRESENCE OF URINARY STONE DISEASE USING A PLURALITY OF URINARY METABOLITES | THE CLEVELAND CLINIC FOUNDATION | 2025-03-06 | — | — | US | disclosed |