Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGAV | P06756 | 2/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SLC13A5 | Q86YT5 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2220775 | 0.81 | CYP2C19 (0.44) | CYP2C19HIF1APOLBALDH1A1TSHR | |
| SCHEMBL585411 | 0.79 | CYP2C19 (0.50) | CYP2C19HIF1APOLBALDH1A1TSHR | |
| SCHEMBL28306702 | 0.77 | CYP2C19 (0.49) | CYP2C19HIF1APOLBALDH1A1TSHR | |
| SCHEMBL2387498 | 0.74 | HIF1A (0.57) | CYP2C19HIF1AALDH1A1TSHRSLC13A5 | |
| SCHEMBL20563882 | 0.74 | MYC (0.42) | POLBALDH1A1TSHRKDM4EGAA | |
| SCHEMBL31503044 | 0.74 | TSHR (0.39) | POLBALDH1A1TSHRKDM4EGAA | |
| SCHEMBL2320019 | 0.74 | HIF1A (0.41) | CYP2C19HIF1APOLBALDH1A1TSHR | |
| SCHEMBL30951242 | 0.74 | P2RX7 (0.40) | ALDH1A1GAA | |
| Citric Acid SCHEMBL5874613 | 0.74 | ALDH1A1 (0.46) | CYP2C19HIF1AALDH1A1KDM4ELMNA | |
| Citric Acid SCHEMBL27897976 | 0.73 | ALDH1A1 (0.60) | CYP2C19HIF1AALDH1A1KDM4ELMNA |
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-117247317-A | Based on CO 2 Method for synthesizing dicarboxylic acid/tricarboxylic acid compound | 四川大学 | 2023-12-19 | — | — | CN | disclosed |