Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isophthalic 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 | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.54 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL29100400 | 0.98 | GPR84 (0.57) | GPR84FFAR1FFAR4HDAC3HDAC4 | |
| Isophthalic Acid SCHEMBL2380785 | 0.98 | GPR84 (0.57) | GPR84FFAR1FFAR4HDAC3HDAC4 | |
| Azelaic Acid SCHEMBL11389879 | 0.98 | GPR84 (0.57) | GPR84FFAR1FFAR4HDAC3HDAC4 | |
| Terephthalic Acid SCHEMBL6892927 | 0.96 | GPR84 (0.50) | GPR84FFAR1FFAR4HDAC3HDAC4 | |
| Terephthalic Acid SCHEMBL10681045 | 0.95 | GPR84 (0.48) | GPR84FFAR1FFAR4HDAC3HDAC4 | |
| Isophthalic Acid SCHEMBL2419522 | 0.94 | HDAC3 (0.53) | GPR84FFAR1FFAR4HDAC3HDAC4 | |
| Azelaic Acid SCHEMBL11680242 | 0.93 | HDAC3 (0.56) | GPR84FFAR1FFAR4HDAC3HDAC4 | |
| Azelaic Acid SCHEMBL11681271 | 0.93 | HDAC3 (0.56) | GPR84FFAR1FFAR4HDAC3HDAC4 | |
| Isophthalic Acid SCHEMBL4163493 | 0.93 | HDAC3 (0.47) | GPR84FFAR1FFAR4HDAC3HDAC4 | |
| Isophthalic Acid SCHEMBL6666925 | 0.92 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115725045-A | Polyurethane-polyurea dispersion and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-03-03 | — | — | CN | disclosed |
| CN-115232283-A | Polyurethane-polyurea aqueous dispersion and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-10-25 | — | — | CN | disclosed |