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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Paraben SCHEMBL27590290 | 0.91 | CA2 (0.67) | TSHRTP53SRD5A2CA1CA2 | |
| Benzoic Acid SCHEMBL27261255 | 0.91 | TSHR (0.64) | TSHRTP53SRD5A2CA1CA2 | |
| Maleic Anhydride SCHEMBL8720551 | 0.83 | DDAH1 (0.79) | CA1CA2CA12CA9DDAH1 | |
| Isophthalic Acid SCHEMBL11803724 | 0.82 | CA12 (0.52) | TSHRTP53CA1CA2CA12 | |
| Phthalic Anhydride SCHEMBL8676881 | 0.82 | TSHR (0.52) | TSHRTP53SRD5A2CA1CA2 | |
| Maleic Anhydride SCHEMBL28291879 | 0.82 | KDM4E (0.53) | TSHRTP53CA1CA2CA12 | |
| Maleic Anhydride SCHEMBL17536557 | 0.81 | CA1 (0.33) | CA1CA2CA9HPGDALDH1A1 | |
| Maleic Anhydride SCHEMBL28180718 | 0.81 | ALDH1A1 (0.34) | CA1CA9HPGDALDH1A1ALOX15 | |
| Maleic Anhydride SCHEMBL27549538 | 0.78 | HSD17B10 (0.31) | HPGDALDH1A1ALOX15 | |
| Terephthalic Acid SCHEMBL175823 | 0.78 | TSHR (1.00) | TSHRTP53SRD5A2CA1CA2 |
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-110511549-A | Modified PC/ABS alloy material of a kind of graphene and preparation method thereof | CHANGZHOU VOCATIONAL INST LIGHT IND | 2019-11-29 | — | — | CN | disclosed |
| US-6063029-A | Diagnostic patch and method for diagnosis using the same | HISAMITSU PHARMACEUTICAL CO., INC. (JP) | 2000-05-16 | — | — | US | disclosed |