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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.58 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL2805663 | 0.97 | TDP1 (0.61) | ESR1TSHRCYP1A2CYP2C19LMNA | |
| Terephthalic Acid SCHEMBL5611013 | 0.95 | ALDH1A1 (0.60) | ESR1TSHRLMNATDP1TP53 | |
| Isophthalic Acid SCHEMBL29171673 | 0.95 | LMNA (0.64) | ESR1TSHRCYP1A2CYP2C19LMNA | |
| SCHEMBL27976076 | 0.95 | TDP1 (0.59) | ESR1TSHRCYP1A2CYP2C19LMNA | |
| Water SCHEMBL27595190 | 0.95 | TDP1 (0.59) | ESR1TSHRCYP1A2CYP2C19LMNA | |
| SCHEMBL28648742 | 0.94 | TDP1 (0.61) | ESR1TSHRLMNAMAPK1TDP1 | |
| Ethylene Glycol SCHEMBL28159240 | 0.93 | TDP1 (0.56) | ESR1TSHRCYP1A2CYP2C19LMNA | |
| SCHEMBL109185 | 0.92 | LMNA (0.61) | ESR1TSHRLMNAMAPK1TDP1 | |
| SCHEMBL9115922 | 0.92 | LMNA (0.61) | ESR1TSHRLMNAMAPK1TDP1 | |
| SCHEMBL5503795 | 0.92 | LMNA (0.61) | ESR1TSHRLMNAMAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6361724-B1 | MELT KNEADING; CARBON DIOXIDE GAS DISSIPATES; | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2002-03-26 | — | — | US | disclosed |