Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 6/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | SLC13A5 | Q86YT5 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29178239 | 0.79 | CES2 (0.47) | MIFTSHRALDH1A1 | |
| SCHEMBL29154377 | 0.79 | SLC13A5 (0.54) | CYP2C19HIF1AMIFSLC13A5TSHR | |
| SCHEMBL12258218 | 0.79 | CYP2C19 (0.42) | CYP2C19HIF1AMIFSLC13A5TSHR | |
| SCHEMBL2387498 | 0.77 | HIF1A (0.57) | CYP2C19HIF1AMIFSLC13A5TSHR | |
| SCHEMBL2388857 | 0.76 | HIF1A (0.43) | CYP2C19HIF1AMIFSLC13A5TSHR | |
| SCHEMBL29154383 | 0.76 | KCNN4 (0.44) | CYP2C19HIF1AMIFSLC13A5TSHR | |
| SCHEMBL29154390 | 0.75 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL29154382 | 0.75 | KIF11 (0.42) | CYP2C19HIF1AMIFSLC13A5TSHR | |
| SCHEMBL29178240 | 0.74 | CYP2C9 (0.55) | CYP2C19HIF1AMIFSLC13A5TSHR | |
| SCHEMBL29154413 | 0.72 | EPHX2 (0.45) | SLC13A5HPGD |
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-117550943-A | Based on CO 2 Method for participating in controllable synthesis of polycarboxylic acid compounds | 四川大学 | 2024-02-13 | — | — | CN | disclosed |