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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.58 |
| ▸ | CA2 | P00918 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA6 | P23280 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 2/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
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 SCHEMBL28295430 | 1.00 | CA1 (0.58) | CA1CA2TSHRTP53ALDH1A1 | |
| Terephthalic Acid SCHEMBL11164993 | 0.82 | TSHR (0.75) | CA1CA2TSHRTP53ALDH1A1 | |
| SCHEMBL21490302 | 0.80 | CA1 (0.52) | CA1CA2TSHRTP53ALDH1A1 | |
| Terephthalic Acid SCHEMBL19665047 | 0.79 | TSHR (0.80) | CA1CA2TSHRTP53ALDH1A1 | |
| Terephthalic Acid SCHEMBL4226573 | 0.79 | TSHR (0.80) | CA1CA2TSHRTP53ALDH1A1 | |
| SCHEMBL28351298 | 0.79 | CA1 (0.50) | CA1CA2TSHRTP53ALDH1A1 | |
| SCHEMBL2209561 | 0.79 | CA1 (0.50) | CA1CA2TSHRTP53ALDH1A1 | |
| Terephthalic Acid SCHEMBL7175787 | 0.76 | TSHR (0.75) | CA1CA2TSHRTP53ALDH1A1 | |
| Terephthalic Acid SCHEMBL11416580 | 0.76 | TSHR (0.86) | CA1CA2TSHRTP53ALDH1A1 | |
| Terephthalic Acid SCHEMBL1403607 | 0.76 | TSHR (0.86) | CA1CA2TSHRTP53ALDH1A1 |
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-109735943-A | A kind of easy-to-dye polyester POY fiber and preparation method thereof | 江苏恒力化纤股份有限公司 | 2019-05-10 | — | — | CN | disclosed |