Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Terephthalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 18/20 | 0.42 |
| ▸ | CA1 | P00915 | 17/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL28056588 | 0.89 | CA2 (0.47) | CA2CA1CA4P4HTM | |
| Terephthalic Acid SCHEMBL28007787 | 0.85 | CA2 (0.47) | CA2CA1CA4P4HTM | |
| Isophthalic Acid SCHEMBL28005851 | 0.84 | CA2 (0.37) | CA2CA1CA4P4HTMTDP1 | |
| Terephthalic Acid SCHEMBL27990724 | 0.80 | TSHR (0.50) | CA2CA1CA4 | |
| Acetic Acid SCHEMBL28014079 | 0.79 | CA1 (0.36) | CA1 | |
| Bicarbonate SCHEMBL28339698 | 0.79 | — | — | |
| Terephthalic Acid SCHEMBL28044877 | 0.78 | TSHR (0.48) | CA2CA1CA4 | |
| Terephthalic Acid SCHEMBL28065968 | 0.78 | TSHR (0.48) | CA2CA1CA4 | |
| Terephthalic Acid SCHEMBL28005997 | 0.78 | TSHR (0.48) | CA2CA1CA4 | |
| Terephthalic Acid SCHEMBL28013542 | 0.78 | TSHR (0.48) | CA2CA1CA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105503910-A | 1, 4-dimethyl-2, 5-dimethylene bis triazole two-dimensional zinc m-phthalate complex single crystal and application | UNIV TIANJIN | 2016-04-20 | — | — | CN | disclosed |
| CN-105503913-A | 1, 4-dimethyl-2, 5-dimethylene bis triazole cadmium terephthalate complex single crystal and application | UNIV TIANJIN | 2016-04-20 | — | — | CN | disclosed |
| CN-105503913-A | 1, 4-dimethyl-2, 5-dimethylene bis triazole cadmium terephthalate complex single crystal and application | UNIV TIANJIN | 2016-04-20 | — | — | CN | disclosed |