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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.57 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | TYR | P14679 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
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 SCHEMBL28509987 | 0.92 | TSHR (0.71) | TSHRTP53ALDH1A1SMN1; SMN2KMT2A | |
| Terephthalic Acid SCHEMBL338413 | 0.92 | TSHR (0.71) | TSHRTP53ALDH1A1SMN1; SMN2KMT2A | |
| Terephthalic Acid SCHEMBL4243136 | 0.92 | TSHR (0.71) | TSHRTP53ALDH1A1SMN1; SMN2KMT2A | |
| Benzoic Acid SCHEMBL5082990 | 0.90 | TSHR (0.70) | TSHRTP53ALDH1A1SMN1; SMN2KMT2A | |
| Terephthalic Acid SCHEMBL23069370 | 0.88 | TSHR (0.75) | TSHRTP53ALDH1A1SMN1; SMN2KMT2A | |
| Terephthalic Acid SCHEMBL28393368 | 0.88 | TSHR (0.75) | TSHRTP53ALDH1A1SMN1; SMN2KMT2A | |
| Terephthalic Acid SCHEMBL23071346 | 0.88 | TSHR (0.75) | TSHRTP53ALDH1A1SMN1; SMN2KMT2A | |
| Terephthalic Acid SCHEMBL29117098 | 0.86 | TSHR (0.63) | TSHRTP53ALDH1A1SMN1; SMN2KMT2A | |
| Terephthalic Acid SCHEMBL28906940 | 0.86 | TSHR (0.63) | TSHRTP53ALDH1A1SMN1; SMN2KMT2A | |
| Terephthalic Acid SCHEMBL1006723 | 0.85 | TSHR (0.92) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103159907-B | A kind of high molecular weight polyesters plastics based on 2,3-butanediol and preparation method thereof | 上海杰事杰新材料(集团)股份有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-102585180-B | Copolyester based on 2, 3-butanediol and preparation method thereof | SHANGHAI GENIUS ADVANCED MAT | 2015-03-25 | — | — | CN | disclosed |
| CN-103159907-A | High-molecular-weight polyester plastic based on 2,3-butanediol and preparation method for same | SHANGHAI GENIUS ADVANCED MAT | 2013-06-19 | — | — | CN | disclosed |
| CN-102093543-A | Method for preparing 2,3-polybutylece terephthalate and copolyester thereof | SHANGHAI GENIUS ADVANCED MAT | 2011-06-15 | — | — | CN | disclosed |