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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.48 |
| ▸ | RXRA | P19793 | 5/20 | 0.44 |
| ▸ | RXRB | P28702 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.40 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4062935 | 0.83 | NPC1 (0.40) | SMN1; SMN2ALDH1A1TP53MAPK1NPC1 | |
| Methacrylic Acid SCHEMBL5606618 | 0.81 | SMN1; SMN2 (0.38) | SMN1; SMN2ALDH1A1TP53NPC1RAB9A | |
| Ethylene Glycol SCHEMBL11167468 | 0.78 | NPC1 (0.39) | SMN1; SMN2ALDH1A1TSHRNPC1RAB9A | |
| SCHEMBL3137094 | 0.77 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1TP53TSHRNOTUM | |
| 4-Methylbenzoic Acid SCHEMBL28173659 | 0.74 | ALDH1A1 (0.94) | SMN1; SMN2ALDH1A1SRD5A2RXRARXRB | |
| SCHEMBL321533 | 0.73 | RARG (0.47) | SRD5A2RXRARXRBCA12CA1 | |
| SCHEMBL31587755 | 0.73 | RARG (0.47) | SRD5A2RXRARXRBCA12CA1 | |
| Terephthalic Acid SCHEMBL526449 | 0.72 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1SRD5A2RXRARXRB | |
| 4-Methylbenzoic Acid SCHEMBL1331178 | 0.72 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1SRD5A2RXRARXRB | |
| Terephthalic Acid SCHEMBL15994097 | 0.72 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1SRD5A2RXRARXRB |
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-4301058-A | BROMINE COMPOUNDS WHICH MELT AT DIFFERENT TEMPERATURES | CHEMISCHE FABRIK KALK GMBH (DE) | 1981-11-17 | — | — | US | disclosed |