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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KIF11 | P52732 | 2/20 | 0.49 |
| ▸ | GABRP | O00591 | 1/20 | 0.49 |
| ▸ | GABRD | O14764 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.49 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.49 |
| ▸ | GABRE | P78334 | 1/20 | 0.49 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.49 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.49 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.49 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29145287 | 0.90 | KIF11 (0.64) | PARP1KMT2AKIF11GABRPGABRD | |
| SCHEMBL24723506 | 0.87 | AHR (0.65) | AHRKIF11HPGDSMN1; SMN2MAPK1 | |
| SCHEMBL30782018 | 0.87 | PARP1 (0.45) | PARP1AHRKMT2AKIF11GABRP | |
| Carbazole SCHEMBL30782024 | 0.83 | ALDH1A1 (0.61) | PARP1AHRKMT2AKIF11GABRP | |
| Carbazole SCHEMBL28310367 | 0.83 | ALDH1A1 (0.61) | PARP1AHRKMT2AKIF11GABRP | |
| SCHEMBL29823892 | 0.80 | KDM4E (0.60) | PARP1AHRKMT2AKIF11GABRP | |
| SCHEMBL29377098 | 0.80 | PARP1 (0.73) | PARP1AHRKMT2AKIF11GABRP | |
| SCHEMBL70283 | 0.80 | KDM4E (0.60) | PARP1AHRKMT2AKIF11GABRP | |
| SCHEMBL147263 | 0.80 | PARP1 (0.73) | PARP1AHRKMT2AKIF11GABRP | |
| Carbazole SCHEMBL27875228 | 0.80 | ALDH1A1 (0.61) | PARP1AHRKMT2AKIF11GABRP |
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-117477036-B | Additive, electrolyte and lithium ion battery | 蓝固(淄博)新能源科技有限公司 | 2024-03-05 | — | — | CN | disclosed |
| CN-117477036-A | Additive, electrolyte and lithium ion battery | 蓝固(淄博)新能源科技有限公司 | 2024-01-30 | — | — | CN | disclosed |