Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 6/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.32 |
| ▸ | PPARG | P37231 | 6/20 | 0.32 |
| ▸ | PPARD | Q03181 | 6/20 | 0.32 |
| ▸ | PPARA | Q07869 | 6/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.32 |
| ▸ | TLR2 | O60603 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29124822 | 0.82 | GAA (0.38) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL29124622 | 0.82 | GAA (0.38) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL4394093 | 0.77 | ALDH1A1 (0.35) | CYP1A2TSHRAKR1B1ALDH1A1GPR84 | |
| SCHEMBL29124620 | 0.76 | GAA (0.41) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL1302163 | 0.76 | AKR1B1 (0.36) | CYP1A2TSHRAKR1B1ALDH1A1GPR84 | |
| SCHEMBL7866598 | 0.76 | AKR1B1 (0.45) | TSHRAKR1B1ALDH1A1GPR84PPARG | |
| Adipic Acid SCHEMBL29124681 | 0.75 | AKR1B1 (0.43) | CYP1A2TSHRAKR1B1ALDH1A1GPR84 | |
| SCHEMBL3765877 | 0.75 | LMNA (0.36) | CYP1A2TSHRAKR1B1ALDH1A1GPR84 | |
| SCHEMBL136592 | 0.74 | LMNA (0.42) | CYP1A2TSHRAKR1B1ALDH1A1GPR84 | |
| SCHEMBL15281992 | 0.73 | FFAR4 (0.53) | CYP1A2TSHRAKR1B1ALDH1A1GPR84 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116917264-A | Process for preparing hydroxybutyric acid carboxylic ester | 凯托利皮克斯治疗有限责任公司 | 2023-10-20 | — | — | CN | disclosed |