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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.50 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.48 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.48 |
| ▸ | RARB | P10826 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28661767 | 0.92 | LMNA (0.65) | LMNAALDH1A1TSHRESR1CHRM1 | |
| Terephthalic Acid SCHEMBL28622229 | 0.84 | LMNA (0.75) | LMNAALDH1A1TSHRESR1CHRM1 | |
| SCHEMBL1995221 | 0.84 | LMNA (0.75) | LMNAALDH1A1TSHRESR1CHRM1 | |
| Butanedione SCHEMBL28991330 | 0.83 | LMNA (0.68) | LMNAALDH1A1TSHRESR1CHRM1 | |
| Terephthalic Acid SCHEMBL27352565 | 0.83 | TSHR (0.68) | ALDH1A1TSHRTP53PLA2G4BRARB | |
| Acetic Acid Propyl Ester SCHEMBL28263423 | 0.83 | ALDH1A1 (0.61) | LMNAALDH1A1TSHRESR1CHRM1 | |
| SCHEMBL5365783 | 0.82 | MAPT (0.53) | LMNAALDH1A1TSHRESR1CHRM1 | |
| SCHEMBL9726247 | 0.82 | LMNA (0.72) | LMNAALDH1A1TSHRESR1CHRM1 | |
| SCHEMBL15945102 | 0.82 | MAPT (0.53) | LMNAALDH1A1TSHRESR1CHRM1 | |
| Benzoic Acid SCHEMBL2470729 | 0.82 | ALDH1A1 (0.62) | LMNAALDH1A1TSHRTDP1TP53 |
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-101048361-A | Extraction process for removal of impurities from an oxidizer purge stream in the synthesis of carboxylic acid | EASTMAN CHEM CO (US) | 2007-10-03 | — | — | CN | disclosed |