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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 14/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 SCHEMBL28056588 | 0.97 | CA2 (0.47) | CA2CA4P4HTMCA1CES2 | |
| Acetic Acid SCHEMBL28062766 | 0.86 | CA2 (0.36) | CA2CA4CES2CES1MEN1 | |
| Terephthalic Acid SCHEMBL28061238 | 0.85 | CA2 (0.42) | CA2CA4P4HTMCA1 | |
| Bromide SCHEMBL28825975 | 0.85 | SNCA (0.33) | MEN1KMT2A | |
| SCHEMBL28061261 | 0.85 | KMT2A (0.33) | CES2CES1MEN1KMT2A | |
| SCHEMBL27970673 | 0.85 | KMT2A (0.33) | CES2CES1MEN1KMT2A | |
| Terephthalic Acid SCHEMBL28067237 | 0.84 | TSHR (0.45) | CES2CES1 | |
| Zinc Ion SCHEMBL28819502 | 0.84 | CES2 (0.34) | CES2CES1MEN1KMT2A | |
| SCHEMBL28016232 | 0.84 | MEN1 (0.32) | CES2CES1MEN1KMT2A | |
| SCHEMBL28069546 | 0.79 | — | — |
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-104610295-A | Potential fluorescent material containing tetraphenylethylene tetra-triazole zinc terephthalate complex and preparation method thereof | UNIV TIANJIN NORMAL | 2015-05-13 | — | — | CN | disclosed |
| CN-104610295-A | Potential fluorescent material containing tetraphenylethylene tetra-triazole zinc terephthalate complex and preparation method thereof | UNIV TIANJIN NORMAL | 2015-05-13 | — | — | CN | disclosed |