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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | RXRB | P28702 | 2/20 | 0.36 |
| ▸ | RXRG | P48443 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 SCHEMBL1241165 | 1.00 | CA1 (0.52) | CA1CA9TSHRTP53KMT2A | |
| Terephthalic Acid SCHEMBL28876748 | 1.00 | CA1 (0.52) | CA1CA9TSHRTP53KMT2A | |
| Terephthalic Acid SCHEMBL27871242 | 0.98 | CA1 (0.53) | CA1CA9TSHRTP53KMT2A | |
| Terephthalic Acid SCHEMBL11153123 | 0.93 | CA1 (0.59) | CA1CA9TSHRTP53KMT2A | |
| Terephthalic Acid SCHEMBL28630379 | 0.93 | CA1 (0.59) | CA1CA9TSHRTP53KMT2A | |
| Terephthalic Acid SCHEMBL27979374 | 0.93 | CA1 (0.59) | CA1CA9TSHRTP53KMT2A | |
| Terephthalic Acid SCHEMBL27854781 | 0.93 | CA1 (0.59) | CA1CA9TSHRTP53KMT2A | |
| Terephthalic Acid SCHEMBL27979376 | 0.93 | CA1 (0.59) | CA1CA9TSHRTP53KMT2A | |
| Terephthalic Acid SCHEMBL28557509 | 0.92 | CA1 (0.50) | CA1CA9TSHRTP53KMT2A | |
| Terephthalic Acid SCHEMBL368624 | 0.92 | CA1 (0.61) | CA1CA9TSHRTP53KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20110046338-A1 | Copolyester polyols, prepolymers, and polyurethane elastomers formed therefrom and processes for making same | LANXESS CORPORATION | 2011-02-24 | — | — | US | claimed |
| US-8592530-B2 | Copolyester polyols, prepolymers, and polyurethane elastomers formed therefrom and processes for making same | CHEMTURA CORPORATION (US) | 2013-11-26 | — | — | US | disclosed |
| US-20110046338-A1 | Copolyester polyols, prepolymers, and polyurethane elastomers formed therefrom and processes for making same | LANXESS CORPORATION | 2011-02-24 | — | — | US | disclosed |