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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 12/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 10/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
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 SCHEMBL28186876 | 0.95 | ATG4B (0.38) | FFAR4FFAR1ATG4BPLA2G1BALDH1A1 | |
| Terephthalic Acid SCHEMBL28186884 | 0.94 | ALDH1A1 (0.41) | ATG4BPLA2G1BALDH1A1THRATHRB | |
| Terephthalic Acid SCHEMBL28561064 | 0.92 | FFAR4 (0.47) | FFAR4FFAR1ALDH1A1TDP1AKR1B1 | |
| Terephthalic Acid SCHEMBL2422481 | 0.92 | FFAR4 (0.47) | FFAR4FFAR1ALDH1A1TDP1AKR1B1 | |
| Sebacic Acid SCHEMBL28189363 | 0.91 | FFAR4 (0.50) | FFAR4FFAR1ALDH1A1TDP1 | |
| Terephthalic Acid SCHEMBL28187596 | 0.91 | CYSLTR2 (0.46) | FFAR4FFAR1ALDH1A1CYP1A2TDP1 | |
| Terephthalic Acid SCHEMBL28186890 | 0.87 | GPR84 (0.44) | FFAR4FFAR1ALDH1A1TDP1AKR1B1 | |
| Terephthalic Acid SCHEMBL28768369 | 0.86 | ALDH1A1 (0.47) | ALDH1A1 | |
| Terephthalic Acid SCHEMBL2420235 | 0.86 | ALDH1A1 (0.47) | ALDH1A1 | |
| Phthalic Acid SCHEMBL28186885 | 0.86 | MEN1 (0.43) | FFAR4FFAR1ALDH1A1TDP1RECQL |
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-105622911-B | A kind of unsaturated aliphatic aromatic series polylactic-acid block copolymer | 中国科学院长春应用化学研究所 | 2017-11-28 | — | — | CN | disclosed |
| CN-105622911-A | Unsaturated aliphatic-aromatic-polylactic acid block copolymer | CHANGCHUN INST APPLIED CHEMISTRY CAS | 2016-06-01 | — | — | CN | disclosed |