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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 11/20 | 0.45 |
| ▸ | RXRB | P28702 | 9/20 | 0.45 |
| ▸ | RARB | P10826 | 8/20 | 0.45 |
| ▸ | RARG | P13631 | 8/20 | 0.45 |
| ▸ | RXRG | P48443 | 7/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.43 |
| ▸ | RARA | P10276 | 6/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
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 SCHEMBL23581094 | 0.92 | TSHR (0.52) | TP53TSHRRXRARXRBRARB | |
| Isonicotinic Acid SCHEMBL28836313 | 0.88 | NAPRT (0.57) | TSHRALDH1A1CYP3A4 | |
| Isophthalic Acid SCHEMBL6544630 | 0.85 | CA12 (0.44) | TP53ALDH1A1CA12CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL28860839 | 0.84 | RXRA (0.42) | ALDH1A1SMN1; SMN2RXRARXRBRARB | |
| Phthalic Acid SCHEMBL8067893 | 0.81 | ALOX15 (0.52) | ALDH1A1SMN1; SMN2CYP3A4CA12CA1 | |
| Phthalic Acid SCHEMBL6544237 | 0.81 | ALOX15 (0.52) | ALDH1A1SMN1; SMN2CYP3A4CA12CA1 | |
| SCHEMBL6433234 | 0.80 | HDAC8 (0.38) | ALDH1A1RXRARXRBRARBRARG | |
| Acetic Acid SCHEMBL986871 | 0.78 | FFAR3 (0.38) | TSHRALDH1A1SMN1; SMN2 | |
| Acetic Acid SCHEMBL1397456 | 0.76 | FFAR3 (0.36) | TSHRALDH1A1 | |
| Terephthalic Acid SCHEMBL27761123 | 0.76 | TSHR (0.60) | TP53TSHRALDH1A1SMN1; SMN2RXRA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6686424-B2 | USE IN RADICAL POLYMERIZATION; REACTING AN OXIDIZING AGENT WITH A STERICALLY HINDERED SECONDARY AMINE TO PRODUCE A NITROXY RADICAL; ADDING TO THE NITROXY RADICAL ONE OR MORE VINYL MONOMER | BAYER AKTIENGESELLSCHAFT (DE) | 2004-02-03 | — | — | US | disclosed |
| EP-1375457-A1 | One-pot process for the preparation of functionalized alkoxyamines | Bayer Aktiengesellschaft (DE) | 2004-01-02 | — | — | EP | disclosed |
| EP-1375476-A1 | A new process for the synthesis of alkoxyamines active in controlled radical polymerization | Bayer Aktiengesellschaft (DE) | 2004-01-02 | — | — | EP | disclosed |
| US-20040002606-A1 | Process for the synthesis for alkoxy amines and their use in controlled radical polymerization | BAYER AKTIENGESELLSCHAFT (DE) | 2004-01-01 | — | — | US | disclosed |
| US-20030236368-A1 | PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE | BAYER AKTIENGESELLSCHAFT (DE) | 2003-12-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030236368-A1 | PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE | NOS1, NOS2, CBR1 | TP53 3435/4885TSHR 3966/4885ALDH1A1 65/4885 |
| US-20040002606-A1 | Process for the synthesis for alkoxy amines and their use in controlled radical polymerization | ALKBH3, MAOB, ALKBH1 | TP53 4181/4885TSHR 4237/4885ALDH1A1 47/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.