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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.53 |
| ▸ | CA12 | O43570 | 7/20 | 0.53 |
| ▸ | CA1 | P00915 | 7/20 | 0.53 |
| ▸ | CA9 | Q16790 | 7/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.53 |
| ▸ | CA3 | P07451 | 3/20 | 0.53 |
| ▸ | CA6 | P23280 | 3/20 | 0.53 |
| ▸ | CA5A | P35218 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL28551334 | 0.98 | CA2 (0.55) | CA2CA12CA1CA9CA14 | |
| Terephthalic Acid SCHEMBL11878692 | 0.87 | TSHR (0.63) | CA2CA12CA1CA9CA14 | |
| Terephthalic Acid SCHEMBL6389843 | 0.87 | TSHR (0.63) | CA2CA12CA1CA9CA14 | |
| Isophthalic Acid SCHEMBL28550985 | 0.85 | CYP2C19 (0.49) | CA2CA12CA1CA9CA6 | |
| Terephthalic Acid SCHEMBL2778330 | 0.85 | TSHR (0.60) | CA2CA12CA1CA9CA14 | |
| Terephthalic Acid SCHEMBL339425 | 0.85 | TSHR (0.67) | CA2CA12CA1CA9CA14 | |
| Terephthalic Acid SCHEMBL2166865 | 0.85 | TSHR (0.67) | CA2CA12CA1CA9CA14 | |
| Terephthalic Acid SCHEMBL6839186 | 0.85 | TSHR (0.67) | CA2CA12CA1CA9CA14 | |
| Isophthalic Acid SCHEMBL28537009 | 0.83 | CYP2C19 (0.50) | CA2CA12CA1CA9CA6 | |
| Terephthalic Acid SCHEMBL21810513 | 0.83 | TSHR (0.63) | CA2CA12CA1CA9CA14 |
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 |