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 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TOP1 | P11387 | 3/20 | 0.42 |
| ▸ | CYCS | P99999 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
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 SCHEMBL28411703 | 1.00 | TSHR (0.44) | TSHRTP53TOP1CYCSMMP2 | |
| Benzoic Acid SCHEMBL28410519 | 0.93 | DAO (0.48) | TSHRTOP1KDM4EALDH1A1HPGD | |
| Benzoic Acid SCHEMBL4657369 | 0.93 | DAO (0.48) | TSHRTOP1KDM4EALDH1A1HPGD | |
| Benzoic Acid SCHEMBL1249516 | 0.93 | DAO (0.48) | TSHRTOP1KDM4EALDH1A1HPGD | |
| SCHEMBL28448131 | 0.92 | TOP1 (0.38) | TSHRTP53TOP1CYCSMMP2 | |
| SCHEMBL28377847 | 0.92 | TOP1 (0.38) | TSHRTP53TOP1CYCSMMP2 | |
| 4-Methylbenzoic Acid SCHEMBL29077916 | 0.92 | ALDH1A1 (0.53) | TOP1KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL28355208 | 0.92 | TOP1 (0.38) | TSHRTP53TOP1CYCSMMP2 | |
| SCHEMBL1403653 | 0.92 | TOP1 (0.38) | TSHRTP53TOP1CYCSMMP2 | |
| 4-Chloro-Benzoic Acid SCHEMBL16188271 | 0.92 | ALOX15 (0.53) | TSHRKDM4EALDH1A1KMT2ASRD5A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111194232-A | Nanoscale metal-organic layers and metal-organic nanoplatelets for X-ray induced photodynamic therapy, radiotherapy, photodynamic therapy, chemotherapy, immunotherapy and any combination thereof | 芝加哥大学 | 2020-05-22 | — | — | CN | claimed |
| CN-111194232-B | Nanoscale metal-organic layer and metal-organic nanosheet | 芝加哥大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-111194232-A | Nanoscale metal-organic layers and metal-organic nanoplatelets for X-ray induced photodynamic therapy, radiotherapy, photodynamic therapy, chemotherapy, immunotherapy and any combination thereof | 芝加哥大学 | 2020-05-22 | — | — | CN | disclosed |