Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 2/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL28550985 | 0.98 | CYP2C19 (0.49) | CYP2C19CA1CA2CA9CA12 | |
| Isophthalic Acid SCHEMBL28339168 | 0.89 | CA1 (0.58) | CYP2C19CA1CA2CA9CA12 | |
| Isophthalic Acid SCHEMBL4651781 | 0.89 | CA12 (0.56) | CYP2C19CA1CA2CA9CA12 | |
| Isophthalic Acid SCHEMBL3673276 | 0.87 | CA12 (0.54) | CYP2C19CA1CA2CA9CA12 | |
| Terephthalic Acid SCHEMBL5631843 | 0.85 | TSHR (0.52) | CYP2C19CA1CA2CA9CA12 | |
| Terephthalic Acid SCHEMBL28551334 | 0.85 | CA2 (0.55) | CYP2C19CA1CA2CA9CA12 | |
| Isophthalic Acid SCHEMBL27886418 | 0.84 | UNG (0.48) | CYP2C19CA1CA2CA9CA12 | |
| Terephthalic Acid SCHEMBL28549034 | 0.83 | CA2 (0.53) | CYP2C19CA1CA2CA9CA12 | |
| Terephthalic Acid SCHEMBL6898217 | 0.83 | TSHR (0.50) | CYP2C19CA1CA2CA9CA12 | |
| Sulfamate SCHEMBL28537008 | 0.82 | TDP1 (0.53) | CA1CA2CA9CA12TDP1 |
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-109734871-B | Preparation method of polyurethane emulsion with low water absorption and high solid content | 沈阳化工研究院有限公司 | 2021-04-13 | — | — | CN | disclosed |