Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28733524 | 0.93 | CA1 (0.35) | CA1CA2SLC6A2SLC6A3 | |
| SCHEMBL28733444 | 0.91 | MEN1 (0.39) | CA1CA2MAPT | |
| SCHEMBL28733533 | 0.90 | MEN1 (0.41) | CA1CA2MAPT | |
| SCHEMBL28733606 | 0.90 | CA1 (0.38) | CA1CA2SLC6A2SLC6A3EPHX2 | |
| Sumiki'S Acid SCHEMBL28733514 | 0.81 | TDP1 (0.39) | ALDH1A1 | |
| Acetic Acid SCHEMBL14251749 | 0.79 | MEN1 (0.39) | — | |
| Benzoic Acid SCHEMBL3031636 | 0.78 | CA2 (0.41) | CA2ALDH1A1MAPT | |
| Benzoic Acid SCHEMBL3848714 | 0.78 | CA2 (0.41) | CA2ALDH1A1MAPT | |
| Acetic Acid SCHEMBL29142366 | 0.76 | MEN1 (0.37) | — | |
| Benzoic Acid SCHEMBL28733507 | 0.76 | HSP90AA1 (0.44) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114315728-A | Imidazole ionic liquid and application thereof in alcoholysis polymerization of 2, 5-furandicarboxylic acid ester | 中国科学院大连化学物理研究所 | 2022-04-12 | — | — | CN | claimed |
| CN-114315728-A | Imidazole ionic liquid and application thereof in alcoholysis polymerization of 2, 5-furandicarboxylic acid ester | 中国科学院大连化学物理研究所 | 2022-04-12 | — | — | CN | disclosed |